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

C22H25ClN4O — CID 55929884

IUPAC1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H25ClN4O/c1-3-26(4-2)16-18-10-8-17(9-11-18)15-24-22(28)21-12-13-27(25-21)20-7-5-6-19(23)14-20/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyZLZPCCLCGWCYER-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.30
Rot. Bonds8

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

1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 55929884) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID55929884
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H25ClN4O/c1-3-26(4-2)16-18-10-8-17(9-11-18)15-24-22(28)21-12-13-27(25-21)20-7-5-6-19(23)14-20/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyZLZPCCLCGWCYER-UHFFFAOYSA-N
XLogP4.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
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CID 55924272
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
CID 94677135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 55929884) is 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is ZLZPCCLCGWCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-3-26(4-2)16-18-10-8-17(9-11-18)15-24-22(28)21-12-13-27(25-21)20-7-5-6-19(23)14-20/h5-14H,3-4,15-16H2,1-2H3,(H,24,28).
What are the key properties of 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55929884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).