(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone

C18H16Br2N2O2 — CID 3115677

IUPAC(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16Br2N2O2/c1-2-14-11-18(24,12-7-9-13(19)10-8-12)22(21-14)17(23)15-5-3-4-6-16(15)20/h3-10,24H,2,11H2,1H3
InChIKeyNINGCGPPNDQCGX-UHFFFAOYSA-N
MW452.15 g/mol
LogP4.67
Rot. Bonds3

About (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone

(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone (PubChem CID 3115677) has the molecular formula C18H16Br2N2O2 and a molecular weight of 452.15 g/mol. Its IUPAC name is (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
PubChem CID3115677
Molecular FormulaC18H16Br2N2O2
Molecular Weight452.15 g/mol
Exact Mass449.96
IUPAC Name(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16Br2N2O2/c1-2-14-11-18(24,12-7-9-13(19)10-8-12)22(21-14)17(23)15-5-3-4-6-16(15)20/h3-10,24H,2,11H2,1H3
InChIKeyNINGCGPPNDQCGX-UHFFFAOYSA-N
XLogP4.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-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

[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
CID 3115676
5-(4-Bromophenyl)-3-ethyl-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 3120301
2-Pyrazolin-5-ol, 5-(4-bromophenyl)-3-trifluoromethyl-1-(3-methylbenzoyl)-
CID 577012
[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
CID 2869549
1-(2-bromobenzoyl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2884856
(4-bromophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone
CID 3113616
(2-bromophenyl)[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3113627
1-(4-bromobenzoyl)-3-butyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3826563

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone (CID 3115677) is (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone is CCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone?
The InChIKey is NINGCGPPNDQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O2/c1-2-14-11-18(24,12-7-9-13(19)10-8-12)22(21-14)17(23)15-5-3-4-6-16(15)20/h3-10,24H,2,11H2,1H3.
What are the key properties of (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone?
(2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone has a molecular weight of 452.15 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3115677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).