(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone

C12H13BrN2O2 — CID 134088480

IUPAC(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Br)C(C)(O)C1
InChIInChI=1S/C12H13BrN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-5-3-4-6-10(9)13/h3-6,17H,7H2,1-2H3
InChIKeyVLVCNMUAXJNQQV-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.38
Rot. Bonds1

About (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone

(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone (PubChem CID 134088480) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
PubChem CID134088480
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Br)C(C)(O)C1
InChIInChI=1S/C12H13BrN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-5-3-4-6-10(9)13/h3-6,17H,7H2,1-2H3
InChIKeyVLVCNMUAXJNQQV-UHFFFAOYSA-N
XLogP2.38
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-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

(2-aminophenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 693938
1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
CID 3575416
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
(2-chlorophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2859270
(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890
(2-bromophenyl)-[(5R)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7117604
(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone
CID 2880611
(2-bromophenyl)-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2917296
(2-bromophenyl)-[(5R)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 1118344
(2-bromophenyl)-[5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3113611
(2-bromophenyl)-[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40622435
(5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone
CID 3101234

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone (CID 134088480) is (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccccc2Br)C(C)(O)C1.
What is the InChIKey of (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
The InChIKey is VLVCNMUAXJNQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-5-3-4-6-10(9)13/h3-6,17H,7H2,1-2H3.
What are the key properties of (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone?
(2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone has a molecular weight of 297.15 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 134088480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).