2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole

C19H25BrN4 — CID 70344468

IUPAC2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole
SMILESCCCCn1c(CC)nc2nn(-c3ccc(Br)cc3CC)c(C)c21
InChIInChI=1S/C19H25BrN4/c1-5-8-11-23-17(7-3)21-19-18(23)13(4)24(22-19)16-10-9-15(20)12-14(16)6-2/h9-10,12H,5-8,11H2,1-4H3
InChIKeyOTZMXMNNGYYDCU-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.22
Rot. Bonds6

About 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole

2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole (PubChem CID 70344468) has the molecular formula C19H25BrN4 and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole
PubChem CID70344468
Molecular FormulaC19H25BrN4
Molecular Weight389.34 g/mol
Exact Mass388.13
IUPAC Name2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole
SMILESCCCCn1c(CC)nc2nn(-c3ccc(Br)cc3CC)c(C)c21
InChIInChI=1S/C19H25BrN4/c1-5-8-11-23-17(7-3)21-19-18(23)13(4)24(22-19)16-10-9-15(20)12-14(16)6-2/h9-10,12H,5-8,11H2,1-4H3
InChIKeyOTZMXMNNGYYDCU-UHFFFAOYSA-N
XLogP5.22
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole 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-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole?
The IUPAC name of 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole (CID 70344468) is 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole.
What is the SMILES notation for 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole?
The canonical SMILES for 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole is CCCCn1c(CC)nc2nn(-c3ccc(Br)cc3CC)c(C)c21.
What is the InChIKey of 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole?
The InChIKey is OTZMXMNNGYYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4/c1-5-8-11-23-17(7-3)21-19-18(23)13(4)24(22-19)16-10-9-15(20)12-14(16)6-2/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole?
2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole has a molecular weight of 389.34 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenyl)-4-butyl-5-ethyl-3-methylimidazo[4,5-c]pyrazole is sourced from PubChem (CID 70344468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).