6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole

C21H21BrN4 — CID 59004224

IUPAC6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole
SMILESCCc1nn(C(C)C)c2cc(-c3ccnn3-c3ccc(Br)cc3)ccc12
InChIInChI=1S/C21H21BrN4/c1-4-19-18-10-5-15(13-21(18)25(24-19)14(2)3)20-11-12-23-26(20)17-8-6-16(22)7-9-17/h5-14H,4H2,1-3H3
InChIKeyQRFQLSXBPVXZOI-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.79
Rot. Bonds4

About 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole

6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole (PubChem CID 59004224) has the molecular formula C21H21BrN4 and a molecular weight of 409.33 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole
PubChem CID59004224
Molecular FormulaC21H21BrN4
Molecular Weight409.33 g/mol
Exact Mass408.09
IUPAC Name6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole
SMILESCCc1nn(C(C)C)c2cc(-c3ccnn3-c3ccc(Br)cc3)ccc12
InChIInChI=1S/C21H21BrN4/c1-4-19-18-10-5-15(13-21(18)25(24-19)14(2)3)20-11-12-23-26(20)17-8-6-16(22)7-9-17/h5-14H,4H2,1-3H3
InChIKeyQRFQLSXBPVXZOI-UHFFFAOYSA-N
XLogP5.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole 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 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole?
The IUPAC name of 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole (CID 59004224) is 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole.
What is the SMILES notation for 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole?
The canonical SMILES for 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole is CCc1nn(C(C)C)c2cc(-c3ccnn3-c3ccc(Br)cc3)ccc12.
What is the InChIKey of 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole?
The InChIKey is QRFQLSXBPVXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4/c1-4-19-18-10-5-15(13-21(18)25(24-19)14(2)3)20-11-12-23-26(20)17-8-6-16(22)7-9-17/h5-14H,4H2,1-3H3.
What are the key properties of 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole?
6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole has a molecular weight of 409.33 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)pyrazol-3-yl]-3-ethyl-1-propan-2-ylindazole is sourced from PubChem (CID 59004224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).