[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C19H17BrN4O3 — CID 20906611

IUPAC[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H17BrN4O3/c20-14-5-3-13(4-6-14)15-12-16(22-21-15)18(25)23-7-9-24(10-8-23)19(26)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyRDUROFLAEWBOEW-UHFFFAOYSA-N
MW429.27 g/mol
LogP3.03
Rot. Bonds3

About [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20906611) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20906611
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H17BrN4O3/c20-14-5-3-13(4-6-14)15-12-16(22-21-15)18(25)23-7-9-24(10-8-23)19(26)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyRDUROFLAEWBOEW-UHFFFAOYSA-N
XLogP3.03
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-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

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 20906611) is [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is RDUROFLAEWBOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c20-14-5-3-13(4-6-14)15-12-16(22-21-15)18(25)23-7-9-24(10-8-23)19(26)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22).
What are the key properties of [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 429.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20906611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).