2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide

C21H23N3O2 — CID 46217005

IUPAC2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
SMILESCC(=O)N1N=C(C(C)C)C(C(=O)Nc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14(2)19-18(21(26)22-17-12-8-5-9-13-17)20(24(23-19)15(3)25)16-10-6-4-7-11-16/h4-14,18,20H,1-3H3,(H,22,26)
InChIKeyVFYFBZLHXCFMSF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.86
Rot. Bonds4

About 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide

2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide (PubChem CID 46217005) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
PubChem CID46217005
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
SMILESCC(=O)N1N=C(C(C)C)C(C(=O)Nc2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14(2)19-18(21(26)22-17-12-8-5-9-13-17)20(24(23-19)15(3)25)16-10-6-4-7-11-16/h4-14,18,20H,1-3H3,(H,22,26)
InChIKeyVFYFBZLHXCFMSF-UHFFFAOYSA-N
XLogP3.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyl-3-(4-fluorophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
CID 46217104
5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217205
5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217403
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 146330092
N-[(2S)-3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 684427
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
cobalt;N-phenylacetamide
CID 158689050
(4R,5S)-1-[(2S)-butan-2-yl]-4-methyl-2,6-dioxo-N,3-diphenyl-1,3-diazinane-5-carboxamide
CID 101146560
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide?
The IUPAC name of 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide (CID 46217005) is 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide.
What is the SMILES notation for 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide?
The canonical SMILES for 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide is CC(=O)N1N=C(C(C)C)C(C(=O)Nc2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide?
The InChIKey is VFYFBZLHXCFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)19-18(21(26)22-17-12-8-5-9-13-17)20(24(23-19)15(3)25)16-10-6-4-7-11-16/h4-14,18,20H,1-3H3,(H,22,26).
What are the key properties of 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide?
2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 46217005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).