2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide

C12H13N3O3 — CID 155963904

IUPAC2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide
SMILESCOc1cn[nH]c1NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H13N3O3/c1-7-3-4-8(9(16)5-7)12(17)14-11-10(18-2)6-13-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyJRXWIABVWHJEES-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.68
Rot. Bonds3

About 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide

2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide (PubChem CID 155963904) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide
PubChem CID155963904
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide
SMILESCOc1cn[nH]c1NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H13N3O3/c1-7-3-4-8(9(16)5-7)12(17)14-11-10(18-2)6-13-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyJRXWIABVWHJEES-UHFFFAOYSA-N
XLogP1.68
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
2-hydroxy-5-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691144
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 112555246
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 138023894
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide (CID 155963904) is 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide is COc1cn[nH]c1NC(=O)c1ccc(C)cc1O.
What is the InChIKey of 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide?
The InChIKey is JRXWIABVWHJEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-8(9(16)5-7)12(17)14-11-10(18-2)6-13-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide?
2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methoxy-1H-pyrazol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 155963904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).