N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide

C14H17N3O2 — CID 103772679

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N[C@@H](CO)c1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O2/c1-11(17-9-5-8-15-17)14(19)16-13(10-18)12-6-3-2-4-7-12/h2-9,11,13,18H,10H2,1H3,(H,16,19)/t11?,13-/m0/s1
InChIKeyOZBSZFBGAMPUPK-YUZLPWPTSA-N
MW259.31 g/mol
LogP1.29
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 103772679) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
PubChem CID103772679
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N[C@@H](CO)c1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O2/c1-11(17-9-5-8-15-17)14(19)16-13(10-18)12-6-3-2-4-7-12/h2-9,11,13,18H,10H2,1H3,(H,16,19)/t11?,13-/m0/s1
InChIKeyOZBSZFBGAMPUPK-YUZLPWPTSA-N
XLogP1.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
CID 79252196
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459
N-(1-hydroxy-2-phenylpropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 105058962
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide (CID 103772679) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)N[C@@H](CO)c1ccccc1)n1cccn1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is OZBSZFBGAMPUPK-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(17-9-5-8-15-17)14(19)16-13(10-18)12-6-3-2-4-7-12/h2-9,11,13,18H,10H2,1H3,(H,16,19)/t11?,13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 103772679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).