3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C17H14ClN3O — CID 45030405

IUPAC3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14ClN3O/c1-11-2-8-14(9-3-11)19-17(22)16-10-15(20-21-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyXBXULTSXAJCKCI-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.29
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030405) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030405
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14ClN3O/c1-11-2-8-14(9-3-11)19-17(22)16-10-15(20-21-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyXBXULTSXAJCKCI-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 870115
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
3-(4-chlorophenyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide
CID 19509431
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 45030405) is 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XBXULTSXAJCKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-2-8-14(9-3-11)19-17(22)16-10-15(20-21-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).