[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone

C17H12N2O4 — CID 2537626

IUPAC[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1cnn(C(=O)c2ccc(O)cc2)c1)c1ccccc1O
InChIInChI=1S/C17H12N2O4/c20-13-7-5-11(6-8-13)17(23)19-10-12(9-18-19)16(22)14-3-1-2-4-15(14)21/h1-10,20-21H
InChIKeyQWODNRUBTXOQTK-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.21
Rot. Bonds3

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

[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 2537626) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID2537626
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1cnn(C(=O)c2ccc(O)cc2)c1)c1ccccc1O
InChIInChI=1S/C17H12N2O4/c20-13-7-5-11(6-8-13)17(23)19-10-12(9-18-19)16(22)14-3-1-2-4-15(14)21/h1-10,20-21H
InChIKeyQWODNRUBTXOQTK-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 854139
CID 854139
CID 688697
CID 688697
CID 4792887
CID 4792887
CID 1481828
CID 1481828
CID 1481829
CID 1481829
CID 2116207
CID 2116207
CID 2116208
CID 2116208
CID 2116213
CID 2116213
CID 2999309
CID 2999309
CID 902212
CID 902212
CID 1478023
CID 1478023
CID 1482067
CID 1482067

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone (CID 2537626) is [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1cnn(C(=O)c2ccc(O)cc2)c1)c1ccccc1O.
What is the InChIKey of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is QWODNRUBTXOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-13-7-5-11(6-8-13)17(23)19-10-12(9-18-19)16(22)14-3-1-2-4-15(14)21/h1-10,20-21H.
What are the key properties of [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
[4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 308.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 2537626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).