N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide

C13H15N3O2 — CID 103945112

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(18)15-12(8-17)10-5-3-2-4-6-10/h2-7,12,17H,8H2,1H3,(H,14,16)(H,15,18)/t12-/m1/s1
InChIKeyCFCYIBGZWMQAQL-GFCCVEGCSA-N
MW245.28 g/mol
LogP1.18
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103945112) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103945112
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(18)15-12(8-17)10-5-3-2-4-6-10/h2-7,12,17H,8H2,1H3,(H,14,16)(H,15,18)/t12-/m1/s1
InChIKeyCFCYIBGZWMQAQL-GFCCVEGCSA-N
XLogP1.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998024
N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97212696
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 103945112) is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CFCYIBGZWMQAQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(18)15-12(8-17)10-5-3-2-4-6-10/h2-7,12,17H,8H2,1H3,(H,14,16)(H,15,18)/t12-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.18, 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]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103945112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).