N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide

C28H28N4O2 — CID 46549850

IUPACN-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c2C)c1
InChIInChI=1S/C28H28N4O2/c1-19-10-8-15-25(16-19)32-21(3)26(18-29-32)28(34)31(4)20(2)23-13-9-14-24(17-23)30-27(33)22-11-6-5-7-12-22/h5-18,20H,1-4H3,(H,30,33)
InChIKeyZEOAODPTAMYZNN-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.57
Rot. Bonds6

About N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 46549850) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID46549850
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c2C)c1
InChIInChI=1S/C28H28N4O2/c1-19-10-8-15-25(16-19)32-21(3)26(18-29-32)28(34)31(4)20(2)23-13-9-14-24(17-23)30-27(33)22-11-6-5-7-12-22/h5-18,20H,1-4H3,(H,30,33)
InChIKeyZEOAODPTAMYZNN-UHFFFAOYSA-N
XLogP5.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
N-[3-[1-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 46688160
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 46549850) is N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c2C)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is ZEOAODPTAMYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-10-8-15-25(16-19)32-21(3)26(18-29-32)28(34)31(4)20(2)23-13-9-14-24(17-23)30-27(33)22-11-6-5-7-12-22/h5-18,20H,1-4H3,(H,30,33).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46549850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).