(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

C17H15BrN2O2 — CID 2884136

IUPAC(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15BrN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3
InChIKeyFSTZUICDMZEHQE-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.52
Rot. Bonds2

About (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (PubChem CID 2884136) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
PubChem CID2884136
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15BrN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3
InChIKeyFSTZUICDMZEHQE-UHFFFAOYSA-N
XLogP3.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-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

Related Compounds

[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
[(5R)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387345
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 11836338
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 768635
[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1095423
1-[(5R)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713945
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713990
2-benzylsulfanyl-1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]ethanone
CID 126365456
methyl (3S)-2-(4-bromobenzoyl)-3-hydroxy-5-methyl-4H-pyrazole-3-carboxylate
CID 40534857

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (CID 2884136) is (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2ccccc2)C1.
What is the InChIKey of (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The InChIKey is FSTZUICDMZEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-12-11-17(22,14-5-3-2-4-6-14)20(19-12)16(21)13-7-9-15(18)10-8-13/h2-10,22H,11H2,1H3.
What are the key properties of (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone has a molecular weight of 359.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 2884136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).