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

C18H16N2O2 — CID 921747

IUPAC[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(-c2[nH]ncc2C(=O)c2ccccc2C)c(O)c1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-14(16(21)9-11)17-15(10-19-20-17)18(22)13-6-4-3-5-12(13)2/h3-10,21H,1-2H3,(H,19,20)
InChIKeyPFYFDYAFQRNSSO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds3

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

[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone (PubChem CID 921747) 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]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
PubChem CID921747
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(-c2[nH]ncc2C(=O)c2ccccc2C)c(O)c1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-14(16(21)9-11)17-15(10-19-20-17)18(22)13-6-4-3-5-12(13)2/h3-10,21H,1-2H3,(H,19,20)
InChIKeyPFYFDYAFQRNSSO-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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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone (CID 921747) is [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone is Cc1ccc(-c2[nH]ncc2C(=O)c2ccccc2C)c(O)c1.
What is the InChIKey of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
The InChIKey is PFYFDYAFQRNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-7-8-14(16(21)9-11)17-15(10-19-20-17)18(22)13-6-4-3-5-12(13)2/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone?
[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-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]-(2-methylphenyl)methanone is sourced from PubChem (CID 921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).