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

C13H15N3O2 — CID 113356359

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-9-12(10-4-2-1-3-5-10)15-13(18)8-11-6-7-14-16-11/h1-7,12,17H,8-9H2,(H,14,16)(H,15,18)/t12-/m0/s1
InChIKeyOXESHHGYNADEAJ-LBPRGKRZSA-N
MW245.28 g/mol
LogP0.80
Rot. Bonds5

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

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 113356359) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID113356359
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-9-12(10-4-2-1-3-5-10)15-13(18)8-11-6-7-14-16-11/h1-7,12,17H,8-9H2,(H,14,16)(H,15,18)/t12-/m0/s1
InChIKeyOXESHHGYNADEAJ-LBPRGKRZSA-N
XLogP0.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 107861205
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide (CID 113356359) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is OXESHHGYNADEAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-12(10-4-2-1-3-5-10)15-13(18)8-11-6-7-14-16-11/h1-7,12,17H,8-9H2,(H,14,16)(H,15,18)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 113356359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).