N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide

C14H17N3O2 — CID 107861205

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H17N3O2/c18-10-13(8-11-4-2-1-3-5-11)16-14(19)9-12-6-7-15-17-12/h1-7,13,18H,8-10H2,(H,15,17)(H,16,19)/t13-/m1/s1
InChIKeyFNMQZHAURMOALE-CYBMUJFWSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 107861205) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID107861205
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H17N3O2/c18-10-13(8-11-4-2-1-3-5-11)16-14(19)9-12-6-7-15-17-12/h1-7,13,18H,8-10H2,(H,15,17)(H,16,19)/t13-/m1/s1
InChIKeyFNMQZHAURMOALE-CYBMUJFWSA-N
XLogP0.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1H-pyrazol-5-ylmethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate
CID 174564624
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548
N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
CID 118197578
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
CID 102673901
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 107861205) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is FNMQZHAURMOALE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-13(8-11-4-2-1-3-5-11)16-14(19)9-12-6-7-15-17-12/h1-7,13,18H,8-10H2,(H,15,17)(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 107861205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).