[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone

C17H14N2O2 — CID 135920556

IUPAC[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESCc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-11-7-8-15(20)13(9-11)16-14(10-18-19-16)17(21)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19)
InChIKeyVJFLKKSEDWCOJY-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.32
Rot. Bonds3

About [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone

[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone (PubChem CID 135920556) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone
PubChem CID135920556
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESCc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-11-7-8-15(20)13(9-11)16-14(10-18-19-16)17(21)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19)
InChIKeyVJFLKKSEDWCOJY-UHFFFAOYSA-N
XLogP3.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
CID 921747
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
CID 886169
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 6957868
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451931
[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
CID 135843580
5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 135732771
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
5-methylbenzene-1,3-dicarboxylic acid;5-phenyl-1H-pyrazole-4-carboxylic acid
CID 160620649
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone (CID 135920556) is [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone is Cc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccccc2)c1.
What is the InChIKey of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The InChIKey is VJFLKKSEDWCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-8-15(20)13(9-11)16-14(10-18-19-16)17(21)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19).
What are the key properties of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone has a molecular weight of 278.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 135920556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).