[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone

C17H14N2O2 — CID 1418584

IUPAC[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cn[nH]c2-c2ccccc2O)c1
InChIInChI=1S/C17H14N2O2/c1-11-5-4-6-12(9-11)17(21)14-10-18-19-16(14)13-7-2-3-8-15(13)20/h2-10,20H,1H3,(H,18,19)
InChIKeyADEPDQWJRNHINN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.32
Rot. Bonds3

About [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone

[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (PubChem CID 1418584) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
PubChem CID1418584
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cn[nH]c2-c2ccccc2O)c1
InChIInChI=1S/C17H14N2O2/c1-11-5-4-6-12(9-11)17(21)14-10-18-19-16(14)13-7-2-3-8-15(13)20/h2-10,20H,1H3,(H,18,19)
InChIKeyADEPDQWJRNHINN-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

(3-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl)(m-tolyl)methanone
CID 886383
[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](2-methylphenyl)methanone
CID 921747
(3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl)(4-methoxyphenyl)methanone
CID 921980
(3-fluorophenyl)[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1418641
[3-(2-Hydroxy-4-methyl-phenyl)-1H-pyrazol-4-yl]-(4-methoxy-phenyl)-methanone
CID 585667
(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)(o-tolyl)methanone
CID 886169
[3-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl](2-methylphenyl)methanone
CID 659692
(4-fluorophenyl)(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)methanone
CID 659733
(3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-4-yl)(4-methoxyphenyl)methanone
CID 805455
(5-Fluoro-2-hydroxyphenyl)(1H-pyrazol-4-yl)methanone
CID 2400746
N-[(4-acetylphenyl)methyl]-5-(2,4-dihydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 136016450
[3-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](3-methylphenyl)methanone
CID 851666

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (CID 1418584) is [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cn[nH]c2-c2ccccc2O)c1.
What is the InChIKey of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The InChIKey is ADEPDQWJRNHINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-5-4-6-12(9-11)17(21)14-10-18-19-16(14)13-7-2-3-8-15(13)20/h2-10,20H,1H3,(H,18,19).
What are the key properties of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone 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-hydroxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 1418584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).