N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide

C16H13ClN4O2 — CID 167902267

IUPACN-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1ccc(=O)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C16H13ClN4O2/c1-20-8-6-14(22)11(10-20)16(23)18-15-7-9-21(19-15)13-5-3-2-4-12(13)17/h2-10H,1H3,(H,18,19,23)
InChIKeySKHRBQGJPLXMKF-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide

N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide (PubChem CID 167902267) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
PubChem CID167902267
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1ccc(=O)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C16H13ClN4O2/c1-20-8-6-14(22)11(10-20)16(23)18-15-7-9-21(19-15)13-5-3-2-4-12(13)17/h2-10H,1H3,(H,18,19,23)
InChIKeySKHRBQGJPLXMKF-UHFFFAOYSA-N
XLogP2.48
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
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CID 90096262
(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide
CID 124620768
9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993023
1-(2-chlorophenyl)-3-[(2E)-2-(methylaminomethylidene)pentanoyl]pyridazin-4-one
CID 129077070
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
N-[1-[2-(aminomethyl)phenyl]pyrazol-3-yl]-2-bromobenzamide
CID 174774870
2-chloro-N-[1-(2-chlorophenyl)pyrazol-3-yl]-N-methylbenzamide
CID 90095824
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide (CID 167902267) is N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide is Cn1ccc(=O)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is SKHRBQGJPLXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-20-8-6-14(22)11(10-20)16(23)18-15-7-9-21(19-15)13-5-3-2-4-12(13)17/h2-10H,1H3,(H,18,19,23).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 167902267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).