N-(difluoromethyl)-1H-pyrazole-4-carboxamide

C5H5F2N3O — CID 66726653

IUPACN-(difluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC(F)F)c1cn[nH]c1
InChIInChI=1S/C5H5F2N3O/c6-5(7)10-4(11)3-1-8-9-2-3/h1-2,5H,(H,8,9)(H,10,11)
InChIKeyKRCQZEZVOSCKIW-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.36
Rot. Bonds2

About N-(difluoromethyl)-1H-pyrazole-4-carboxamide

N-(difluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 66726653) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is N-(difluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID66726653
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC NameN-(difluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC(F)F)c1cn[nH]c1
InChIInChI=1S/C5H5F2N3O/c6-5(7)10-4(11)3-1-8-9-2-3/h1-2,5H,(H,8,9)(H,10,11)
InChIKeyKRCQZEZVOSCKIW-UHFFFAOYSA-N
XLogP0.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(difluoromethyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
1H-pyrazole-4-carbohydrazide
CID 13031723
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-Fluoropyrazole-4-carboxamide
CID 67420506
Pyrazole-4-carbonyl azide
CID 63079793
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(Difluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 55281721

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(difluoromethyl)-1H-pyrazole-4-carboxamide (CID 66726653) is N-(difluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(difluoromethyl)-1H-pyrazole-4-carboxamide is O=C(NC(F)F)c1cn[nH]c1.
What is the InChIKey of N-(difluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KRCQZEZVOSCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-5(7)10-4(11)3-1-8-9-2-3/h1-2,5H,(H,8,9)(H,10,11).
What are the key properties of N-(difluoromethyl)-1H-pyrazole-4-carboxamide?
N-(difluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 161.11 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 66726653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).