1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone

C11H11BrN2O — CID 11637551

IUPAC1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C11H11BrN2O/c1-8(15)14-7-6-11(13-14)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
InChIKeyHXYCOMWEFPNMSP-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.41
Rot. Bonds1

About 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 11637551) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID11637551
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C11H11BrN2O/c1-8(15)14-7-6-11(13-14)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
InChIKeyHXYCOMWEFPNMSP-UHFFFAOYSA-N
XLogP2.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone 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 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 11637551) is 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCC(c2ccc(Br)cc2)=N1.
What is the InChIKey of 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is HXYCOMWEFPNMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8(15)14-7-6-11(13-14)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 267.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 11637551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).