(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone

C12H12N2O2 — CID 966614

IUPAC(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2O)n1
InChIInChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)12(16)10-5-3-4-6-11(10)15/h3-7,15H,1-2H3
InChIKeyNYWVTNJMCOUPMB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.89
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 966614) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID966614
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2O)n1
InChIInChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)12(16)10-5-3-4-6-11(10)15/h3-7,15H,1-2H3
InChIKeyNYWVTNJMCOUPMB-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
CID 6890491
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzamide
CID 900681
5-chloro-N'-(2-hydroxybenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 8180364
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(3,5-Dimethylpyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 754113
1-(2,5-Dihydroxyphenyl)-2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanone
CID 24204126
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
[5-(2,4-Difluorophenyl)-2-hydroxyphenyl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 145964094

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone (CID 966614) is (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone is Cc1cc(C)n(C(=O)c2ccccc2O)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is NYWVTNJMCOUPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)12(16)10-5-3-4-6-11(10)15/h3-7,15H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 966614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).