N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide

C12H13N3O2 — CID 113356455

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c16-8-11(9-4-2-1-3-5-9)15-12(17)10-6-13-14-7-10/h1-7,11,16H,8H2,(H,13,14)(H,15,17)/t11-/m1/s1
InChIKeyDCQIIWUCNKQUNB-LLVKDONJSA-N
MW231.26 g/mol
LogP0.87
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 113356455) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
PubChem CID113356455
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c16-8-11(9-4-2-1-3-5-9)15-12(17)10-6-13-14-7-10/h1-7,11,16H,8H2,(H,13,14)(H,15,17)/t11-/m1/s1
InChIKeyDCQIIWUCNKQUNB-LLVKDONJSA-N
XLogP0.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
CID 61259747
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide (CID 113356455) is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1cn[nH]c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DCQIIWUCNKQUNB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-8-11(9-4-2-1-3-5-9)15-12(17)10-6-13-14-7-10/h1-7,11,16H,8H2,(H,13,14)(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113356455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).