5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide

C20H19ClN4O2 — CID 162182267

IUPAC5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide
SMILESCc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O2/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27)
InChIKeyFNBRUFLECSQTGM-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.07
Rot. Bonds7

About 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide

5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide (PubChem CID 162182267) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide
PubChem CID162182267
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide
SMILESCc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O2/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27)
InChIKeyFNBRUFLECSQTGM-UHFFFAOYSA-N
XLogP3.07
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[4-(1,2,3-trihydroxypropan-2-yl)phenyl]butan-2-one
CID 159223839
tert-butyl N-[[5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 159639033
4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(hydroxymethyl)phenyl]butan-2-one;methyl 4-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-fluorobenzoate
CID 159499723
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[3-fluoro-4-(2-hydroxyethyl)phenyl]pentan-3-one
CID 158798054
5-bromopyridine-2-carboxylic acid;1-(5-bromo-2-pyridinyl)-2-phenylethanone;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;2,5-dibromopyridine;3-[6-(2-phenylacetyl)-3-pyridinyl]butan-2-one;2-[6-(2-phenylacetyl)-3-pyridinyl]propanoic acid
CID 159963883
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 11517452
4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]butan-2-one
CID 158339331
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
CID 157461240

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide (CID 162182267) is 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide is Cc1cc(CCC(=O)Cc2ccc(C(N)=O)nc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide?
The InChIKey is FNBRUFLECSQTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-9-17(25(24-13)16-4-2-3-15(21)11-16)6-7-18(26)10-14-5-8-19(20(22)27)23-12-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,22,27).
What are the key properties of 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide?
5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 162182267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).