1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide

C21H19ClN4O2 — CID 39724810

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN4O2/c22-19-8-2-1-5-15(19)13-25-14-16(12-23-25)21(28)24-17-6-3-7-18(11-17)26-10-4-9-20(26)27/h1-3,5-8,11-12,14H,4,9-10,13H2,(H,24,28)
InChIKeyREWCOZPCUFKZDZ-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.96
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 39724810) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID39724810
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN4O2/c22-19-8-2-1-5-15(19)13-25-14-16(12-23-25)21(28)24-17-6-3-7-18(11-17)26-10-4-9-20(26)27/h1-3,5-8,11-12,14H,4,9-10,13H2,(H,24,28)
InChIKeyREWCOZPCUFKZDZ-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
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1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
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N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
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N-[3-[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-(trifluoromethyl)benzamide
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4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
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1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
CID 55963403
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
1-[(2-chlorophenyl)methyl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide (CID 39724810) is 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is REWCOZPCUFKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-19-8-2-1-5-15(19)13-25-14-16(12-23-25)21(28)24-17-6-3-7-18(11-17)26-10-4-9-20(26)27/h1-3,5-8,11-12,14H,4,9-10,13H2,(H,24,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39724810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).