2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one

C10H9BrN2O — CID 1201017

IUPAC2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(Br)cc2)C(=O)C1
InChIInChI=1S/C10H9BrN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyDFQPWWDYYNSRQV-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one

2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 1201017) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID1201017
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(Br)cc2)C(=O)C1
InChIInChI=1S/C10H9BrN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyDFQPWWDYYNSRQV-UHFFFAOYSA-N
XLogP2.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one 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

Mci-186
CID 4021
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 702012
4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 4998861
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765
1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 608697
2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one
CID 13415382
3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-phenyl-
CID 770565
2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 80815
2-(2-Fluorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 33789092
4,4-Dibromo-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
CID 285802

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one (CID 1201017) is 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2ccc(Br)cc2)C(=O)C1.
What is the InChIKey of 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is DFQPWWDYYNSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one?
2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 253.10 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 1201017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).