N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H13ClN4O — CID 53087364

IUPACN-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c1-10-2-3-12(17)8-13(10)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyUBWCWRPUYPVWLG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.69
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087364) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53087364
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c1-10-2-3-12(17)8-13(10)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyUBWCWRPUYPVWLG-UHFFFAOYSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 22576739
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513869

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53087364) is N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is UBWCWRPUYPVWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-2-3-12(17)8-13(10)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).