3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole

C19H14BrN5 — CID 69199091

IUPAC3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESBrc1ccc(-c2n[nH]c3c2Cc2cc(Cn4cncn4)ccc2-3)cc1
InChIInChI=1S/C19H14BrN5/c20-15-4-2-13(3-5-15)18-17-8-14-7-12(9-25-11-21-10-22-25)1-6-16(14)19(17)24-23-18/h1-7,10-11H,8-9H2,(H,23,24)
InChIKeyHFDXAXZTEODJRC-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole

3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 69199091) has the molecular formula C19H14BrN5 and a molecular weight of 392.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID69199091
Molecular FormulaC19H14BrN5
Molecular Weight392.26 g/mol
Exact Mass391.04
IUPAC Name3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESBrc1ccc(-c2n[nH]c3c2Cc2cc(Cn4cncn4)ccc2-3)cc1
InChIInChI=1S/C19H14BrN5/c20-15-4-2-13(3-5-15)18-17-8-14-7-12(9-25-11-21-10-22-25)1-6-16(14)19(17)24-23-18/h1-7,10-11H,8-9H2,(H,23,24)
InChIKeyHFDXAXZTEODJRC-UHFFFAOYSA-N
XLogP4.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]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 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole (CID 69199091) is 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole is Brc1ccc(-c2n[nH]c3c2Cc2cc(Cn4cncn4)ccc2-3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is HFDXAXZTEODJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5/c20-15-4-2-13(3-5-15)18-17-8-14-7-12(9-25-11-21-10-22-25)1-6-16(14)19(17)24-23-18/h1-7,10-11H,8-9H2,(H,23,24).
What are the key properties of 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole?
3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 392.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 69199091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).