5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide

C10H6Cl2FN3O — CID 16659603

IUPAC5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(Cl)[nH]n1
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-7(6)14-10(17)8-4-9(12)16-15-8/h1-4H,(H,14,17)(H,15,16)
InChIKeyWGWDMYZQEGVYKO-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.11
Rot. Bonds2

About 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide

5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659603) has the molecular formula C10H6Cl2FN3O and a molecular weight of 274.08 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID16659603
Molecular FormulaC10H6Cl2FN3O
Molecular Weight274.08 g/mol
Exact Mass272.99
IUPAC Name5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(Cl)[nH]n1
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-7(6)14-10(17)8-4-9(12)16-15-8/h1-4H,(H,14,17)(H,15,16)
InChIKeyWGWDMYZQEGVYKO-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-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

Related Compounds

N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 122185518
N'5-(2,6-dichlorophenyl)-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 2744584
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 16659762
N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16659930
N-(2-Chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 68947659
4-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232761
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 16659603) is 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1cc(Cl)[nH]n1.
What is the InChIKey of 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WGWDMYZQEGVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-7(6)14-10(17)8-4-9(12)16-15-8/h1-4H,(H,14,17)(H,15,16).
What are the key properties of 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 274.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).