1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide

C19H19N3O — CID 17423011

IUPAC1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(2)19(23)17-14-22(13-15-9-5-3-6-10-15)20-18(17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyGQJMCIAVNLNODD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.30
Rot. Bonds4

About 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide

1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide (PubChem CID 17423011) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
PubChem CID17423011
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(2)19(23)17-14-22(13-15-9-5-3-6-10-15)20-18(17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyGQJMCIAVNLNODD-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 38746467
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536950
1-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 55637417
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide (CID 17423011) is 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide is CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide?
The InChIKey is GQJMCIAVNLNODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21(2)19(23)17-14-22(13-15-9-5-3-6-10-15)20-18(17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide?
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 17423011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).