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

C17H14N2O2 — CID 886169

IUPAC[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C17H14N2O2/c1-11-6-2-3-7-12(11)17(21)14-10-18-19-16(14)13-8-4-5-9-15(13)20/h2-10,20H,1H3,(H,18,19)
InChIKeyJHGZQPKMQNONHI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.32
Rot. Bonds3

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

[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone (PubChem CID 886169) 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]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
PubChem CID886169
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C17H14N2O2/c1-11-6-2-3-7-12(11)17(21)14-10-18-19-16(14)13-8-4-5-9-15(13)20/h2-10,20H,1H3,(H,18,19)
InChIKeyJHGZQPKMQNONHI-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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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone (CID 886169) is [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cn[nH]c1-c1ccccc1O.
What is the InChIKey of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The InChIKey is JHGZQPKMQNONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-2-3-7-12(11)17(21)14-10-18-19-16(14)13-8-4-5-9-15(13)20/h2-10,20H,1H3,(H,18,19).
What are the key properties of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-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]-(2-methylphenyl)methanone is sourced from PubChem (CID 886169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).