N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide

C16H19N3O — CID 134048874

IUPACN-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC(c1ccccc1)C1CC1)n1cccn1
InChIInChI=1S/C16H19N3O/c1-12(19-11-5-10-17-19)16(20)18-15(14-8-9-14)13-6-3-2-4-7-13/h2-7,10-12,14-15H,8-9H2,1H3,(H,18,20)
InChIKeyVPHQLNKUWSQMNG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide

N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048874) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048874
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC(c1ccccc1)C1CC1)n1cccn1
InChIInChI=1S/C16H19N3O/c1-12(19-11-5-10-17-19)16(20)18-15(14-8-9-14)13-6-3-2-4-7-13/h2-7,10-12,14-15H,8-9H2,1H3,(H,18,20)
InChIKeyVPHQLNKUWSQMNG-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide (CID 134048874) is N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NC(c1ccccc1)C1CC1)n1cccn1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is VPHQLNKUWSQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(19-11-5-10-17-19)16(20)18-15(14-8-9-14)13-6-3-2-4-7-13/h2-7,10-12,14-15H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide?
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).