[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone

C17H12N2O3 — CID 3914259

IUPAC[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1cnn(C(=O)c2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C17H12N2O3/c20-15-9-5-4-8-14(15)16(21)13-10-18-19(11-13)17(22)12-6-2-1-3-7-12/h1-11,20H
InChIKeyLKBLEGMBLPHKKT-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.51
Rot. Bonds3

About [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone

[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone (PubChem CID 3914259) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
PubChem CID3914259
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1cnn(C(=O)c2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C17H12N2O3/c20-15-9-5-4-8-14(15)16(21)13-10-18-19(11-13)17(22)12-6-2-1-3-7-12/h1-11,20H
InChIKeyLKBLEGMBLPHKKT-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone (CID 3914259) is [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone is O=C(c1cnn(C(=O)c2ccccc2)c1)c1ccccc1O.
What is the InChIKey of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone?
The InChIKey is LKBLEGMBLPHKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15-9-5-4-8-14(15)16(21)13-10-18-19(11-13)17(22)12-6-2-1-3-7-12/h1-11,20H.
What are the key properties of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone?
[4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone has a molecular weight of 292.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 3914259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).