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

C16H11BrN2O2 — CID 921676

IUPAC(4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H11BrN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19)
InChIKeyDDCSNQAOJZWIEI-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.78
Rot. Bonds3

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

(4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 921676) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
PubChem CID921676
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name(4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H11BrN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19)
InChIKeyDDCSNQAOJZWIEI-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone (CID 921676) is (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone is O=C(c1ccc(Br)cc1)c1cn[nH]c1-c1ccccc1O.
What is the InChIKey of (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is DDCSNQAOJZWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-11-7-5-10(6-8-11)16(21)13-9-18-19-15(13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,19).
What are the key properties of (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone?
(4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 343.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 921676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).