1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide

C29H30N4O3 — CID 55380524

IUPAC1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C29H30N4O3/c1-4-22-12-8-9-13-26(22)30-27(34)20-32(2)29(35)25-19-33(18-21-10-6-5-7-11-21)31-28(25)23-14-16-24(36-3)17-15-23/h5-17,19H,4,18,20H2,1-3H3,(H,30,34)
InChIKeyXPRCKUHOXRKOCF-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.88
Rot. Bonds9

About 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide

1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 55380524) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide
PubChem CID55380524
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C29H30N4O3/c1-4-22-12-8-9-13-26(22)30-27(34)20-32(2)29(35)25-19-33(18-21-10-6-5-7-11-21)31-28(25)23-14-16-24(36-3)17-15-23/h5-17,19H,4,18,20H2,1-3H3,(H,30,34)
InChIKeyXPRCKUHOXRKOCF-UHFFFAOYSA-N
XLogP4.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide (CID 55380524) is 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is XPRCKUHOXRKOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-4-22-12-8-9-13-26(22)30-27(34)20-32(2)29(35)25-19-33(18-21-10-6-5-7-11-21)31-28(25)23-14-16-24(36-3)17-15-23/h5-17,19H,4,18,20H2,1-3H3,(H,30,34).
What are the key properties of 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55380524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).