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

C16H13ClN4O — CID 53087379

IUPACN-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c1-10-12(17)3-2-4-13(10)19-16(22)15-9-14(20-21-15)11-5-7-18-8-6-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyXHXBELFNBRNPNB-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.69
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087379) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53087379
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H13ClN4O/c1-10-12(17)3-2-4-13(10)19-16(22)15-9-14(20-21-15)11-5-7-18-8-6-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyXHXBELFNBRNPNB-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-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110859043
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53087379) is N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is XHXBELFNBRNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-12(17)3-2-4-13(10)19-16(22)15-9-14(20-21-15)11-5-7-18-8-6-11/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(3-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-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).