(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide

C18H18N4O — CID 95934280

IUPAC(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)n1cccn1
InChIInChI=1S/C18H18N4O/c1-14(22-13-5-10-20-22)18(23)21-17(15-6-3-2-4-7-15)16-8-11-19-12-9-16/h2-14,17H,1H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyOEUZUKMGCJEABW-PBHICJAKSA-N
MW306.37 g/mol
LogP2.74
Rot. Bonds5

About (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 95934280) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID95934280
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)n1cccn1
InChIInChI=1S/C18H18N4O/c1-14(22-13-5-10-20-22)18(23)21-17(15-6-3-2-4-7-15)16-8-11-19-12-9-16/h2-14,17H,1H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyOEUZUKMGCJEABW-PBHICJAKSA-N
XLogP2.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459
(2R)-2-pyrazol-1-yl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 35699099
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 95934280) is (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide is C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)n1cccn1.
What is the InChIKey of (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is OEUZUKMGCJEABW-PBHICJAKSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14(22-13-5-10-20-22)18(23)21-17(15-6-3-2-4-7-15)16-8-11-19-12-9-16/h2-14,17H,1H3,(H,21,23)/t14-,17+/m1/s1.
What are the key properties of (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95934280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).