2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

C13H11BrN4O — CID 106714963

IUPAC2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCn1cc(C2=NN(c3ccccc3Br)C(=O)C2)cn1
InChIInChI=1S/C13H11BrN4O/c1-17-8-9(7-15-17)11-6-13(19)18(16-11)12-5-3-2-4-10(12)14/h2-5,7-8H,6H2,1H3
InChIKeyCNVWIXXEPBYHNB-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (PubChem CID 106714963) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
PubChem CID106714963
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCn1cc(C2=NN(c3ccccc3Br)C(=O)C2)cn1
InChIInChI=1S/C13H11BrN4O/c1-17-8-9(7-15-17)11-6-13(19)18(16-11)12-5-3-2-4-10(12)14/h2-5,7-8H,6H2,1H3
InChIKeyCNVWIXXEPBYHNB-UHFFFAOYSA-N
XLogP2.32
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (CID 106714963) is 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is Cn1cc(C2=NN(c3ccccc3Br)C(=O)C2)cn1.
What is the InChIKey of 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The InChIKey is CNVWIXXEPBYHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-17-8-9(7-15-17)11-6-13(19)18(16-11)12-5-3-2-4-10(12)14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one has a molecular weight of 319.16 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 106714963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).