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

C20H19ClN4O2 — CID 49324924

IUPAC1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-22-19(26)15-9-7-14(8-10-15)13-24(2)20(27)17-11-12-25(23-17)18-6-4-3-5-16(18)21/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyCLPOJWRIYOLAPL-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.16
Rot. Bonds5

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

1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 49324924) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID49324924
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-22-19(26)15-9-7-14(8-10-15)13-24(2)20(27)17-11-12-25(23-17)18-6-4-3-5-16(18)21/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyCLPOJWRIYOLAPL-UHFFFAOYSA-N
XLogP3.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 49320521
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CID 26722336
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
CID 24596146
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
2-(3-chlorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]triazole-4-carboxamide
CID 38746531
N-[[4-(butanoylamino)phenyl]methyl]-1-(2-chlorophenyl)pyrazole-3-carboxamide
CID 49326504
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 49372359
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide (CID 49324924) is 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is CLPOJWRIYOLAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-22-19(26)15-9-7-14(8-10-15)13-24(2)20(27)17-11-12-25(23-17)18-6-4-3-5-16(18)21/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 49324924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).