1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide

C24H28N4O2 — CID 9227116

IUPAC1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CC(=O)N(C)C)cc1C
InChIInChI=1S/C24H28N4O2/c1-17-11-12-20(13-18(17)2)23-21(24(30)27(5)16-22(29)26(3)4)15-28(25-23)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3
InChIKeyODVBYXNGWLEPBN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.38
Rot. Bonds6

About 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide

1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 9227116) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
PubChem CID9227116
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CC(=O)N(C)C)cc1C
InChIInChI=1S/C24H28N4O2/c1-17-11-12-20(13-18(17)2)23-21(24(30)27(5)16-22(29)26(3)4)15-28(25-23)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3
InChIKeyODVBYXNGWLEPBN-UHFFFAOYSA-N
XLogP3.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
CID 112769964
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 78901048
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
1-benzyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3,4-dimethoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 40818560
[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119484360
3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
CID 43007655
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 55380524
1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 38746467
3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-N-(2-methylsulfonylethyl)prop-2-enamide
CID 76869180

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide (CID 9227116) is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CC(=O)N(C)C)cc1C.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is ODVBYXNGWLEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-11-12-20(13-18(17)2)23-21(24(30)27(5)16-22(29)26(3)4)15-28(25-23)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3.
What are the key properties of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9227116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).