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CS-W001157 4
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1-Cyclopropyl-4-nitro-1H-pyrazole

  • CAS No. 1240568-16-4

  • Cat. No. CS-0095971
  • Molecule weight153.14
  • Purity≥97%
  • MDL No.MFCD16810701

*For research and further manufacturing use only, not for direct human use.

1-Cyclopropyl-4-nitro-1H-pyrazole|CS-0095971

Structure of 1240568-16-4

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General Information

  • CAS No. 1240568-16-4
  • Cat. No. CS-0095971
  • Purity ≥97%
  • MDL No. MFCD16810701
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₂
  • Molecular Weight 153.14
  • Synonym(s) None
  • SMILES O=[N+](C1=CN(C2CC2)N=C1)[O-]

Description

1-Cyclopropyl-4-nitro-1H-pyrazole features a rigid pyrazole core bearing a nitro group at the 4-position and a cyclopropyl substituent at nitrogen, delivering enhanced electron deficiency and steric profile. This combination enables robust participation in cross-coupling reactions and facilitates incorporation into bioactive scaffolds requiring precise electronic tuning.

Application

1-Cyclopropyl-4-nitro-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of pyrazole-based scaffolds with enhanced metabolic stability. The nitro group at C4 provides a handle for selective reduction or substitution, while the cyclopropyl substituent offers favorable steric and electronic properties. This compound exhibits bench stability, compatibility with common coupling reactions, and facilitates the synthesis of bioactive molecules through well-established functional group interconversions.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.1262
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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