(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone

C17H14N2O2 — CID 688698

IUPAC(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-16(20)15(9-12)17(21)13-10-18-19(11-13)14-5-3-2-4-6-14/h2-11,20H,1H3
InChIKeyVYXJMOPDZFQVSZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds3

About (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone

(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 688698) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID688698
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-16(20)15(9-12)17(21)13-10-18-19(11-13)14-5-3-2-4-6-14/h2-11,20H,1H3
InChIKeyVYXJMOPDZFQVSZ-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 805519
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
1-(2,4-dihydroxy-6-methylphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692802
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417462
(2-Hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681514
1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692803
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 886358

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 688698) is (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone is Cc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is VYXJMOPDZFQVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-8-16(20)15(9-12)17(21)13-10-18-19(11-13)14-5-3-2-4-6-14/h2-11,20H,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
(2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 278.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 688698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).