4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide

C6H6ClF2N3O — CID 121328692

IUPAC4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C(F)F)cc1Cl
InChIInChI=1S/C6H6ClF2N3O/c1-10-5(13)4-3(7)2-12(11-4)6(8)9/h2,6H,1H3,(H,10,13)
InChIKeyWBZNPUGZBPYFQY-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.29
Rot. Bonds2

About 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide

4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 121328692) has the molecular formula C6H6ClF2N3O and a molecular weight of 209.58 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide
PubChem CID121328692
Molecular FormulaC6H6ClF2N3O
Molecular Weight209.58 g/mol
Exact Mass209.02
IUPAC Name4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C(F)F)cc1Cl
InChIInChI=1S/C6H6ClF2N3O/c1-10-5(13)4-3(7)2-12(11-4)6(8)9/h2,6H,1H3,(H,10,13)
InChIKeyWBZNPUGZBPYFQY-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide (CID 121328692) is 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1nn(C(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is WBZNPUGZBPYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3O/c1-10-5(13)4-3(7)2-12(11-4)6(8)9/h2,6H,1H3,(H,10,13).
What are the key properties of 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 209.58 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 121328692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).