N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H17N3O2 — CID 55159643

IUPACN-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-9-13(10(2)17-16-9)14(19)15-12(8-18)11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyGPUSPKRZYWKWQW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.49
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 55159643) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID55159643
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-9-13(10(2)17-16-9)14(19)15-12(8-18)11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyGPUSPKRZYWKWQW-UHFFFAOYSA-N
XLogP1.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 55159643) is N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GPUSPKRZYWKWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(10(2)17-16-9)14(19)15-12(8-18)11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55159643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).