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

C18H16N2O2 — CID 851666

IUPAC[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cn[nH]c2-c2ccc(C)cc2O)c1
InChIInChI=1S/C18H16N2O2/c1-11-4-3-5-13(8-11)18(22)15-10-19-20-17(15)14-7-6-12(2)9-16(14)21/h3-10,21H,1-2H3,(H,19,20)
InChIKeyACNXLVOTBATGSR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds3

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

[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (PubChem CID 851666) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
PubChem CID851666
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cn[nH]c2-c2ccc(C)cc2O)c1
InChIInChI=1S/C18H16N2O2/c1-11-4-3-5-13(8-11)18(22)15-10-19-20-17(15)14-7-6-12(2)9-16(14)21/h3-10,21H,1-2H3,(H,19,20)
InChIKeyACNXLVOTBATGSR-UHFFFAOYSA-N
XLogP3.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
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
N-[(4-acetylphenyl)methyl]-5-(2,4-dihydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 136016450
(4-chlorophenyl)(3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl)methanone
CID 921572
(4-bromophenyl)(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)methanone
CID 921676
(4-bromophenyl)(3-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl)methanone
CID 1311881

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (CID 851666) is [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cn[nH]c2-c2ccc(C)cc2O)c1.
What is the InChIKey of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The InChIKey is ACNXLVOTBATGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-4-3-5-13(8-11)18(22)15-10-19-20-17(15)14-7-6-12(2)9-16(14)21/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone has a molecular weight of 292.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 851666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).