N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide

C21H23N3O — CID 134060458

IUPACN-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1cccn1
InChIInChI=1S/C21H23N3O/c1-17(24-16-8-14-23-24)21(25)22-15-13-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-12,14,16-17,20H,13,15H2,1H3,(H,22,25)
InChIKeyJMZQNIIKYAGSLA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.78
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide

N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide (PubChem CID 134060458) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
PubChem CID134060458
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1cccn1
InChIInChI=1S/C21H23N3O/c1-17(24-16-8-14-23-24)21(25)22-15-13-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-12,14,16-17,20H,13,15H2,1H3,(H,22,25)
InChIKeyJMZQNIIKYAGSLA-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541422
(2S)-N-[(2R)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541424
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
N-[2-(4-chlorophenyl)sulfanylethyl]-2-pyrazol-1-ylpropanamide
CID 134048678
N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 121075800
3-methyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]butanoic acid
CID 65220604

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide (CID 134060458) is N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1cccn1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is JMZQNIIKYAGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17(24-16-8-14-23-24)21(25)22-15-13-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-12,14,16-17,20H,13,15H2,1H3,(H,22,25).
What are the key properties of N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide?
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 333.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134060458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).