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

C15H11ClN4O — CID 53008238

IUPACN-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H11ClN4O/c16-11-3-1-2-4-12(11)18-15(21)14-9-13(19-20-14)10-5-7-17-8-6-10/h1-9H,(H,18,21)(H,19,20)
InChIKeyVOQIBVCRQAGDFX-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

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

N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53008238) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53008238
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H11ClN4O/c16-11-3-1-2-4-12(11)18-15(21)14-9-13(19-20-14)10-5-7-17-8-6-10/h1-9H,(H,18,21)(H,19,20)
InChIKeyVOQIBVCRQAGDFX-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039802
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
N-[4-[(2-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 56688132
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53008238) is N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1Cl)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is VOQIBVCRQAGDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-3-1-2-4-12(11)18-15(21)14-9-13(19-20-14)10-5-7-17-8-6-10/h1-9H,(H,18,21)(H,19,20).
What are the key properties of N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53008238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).