3-ethyl-1-phenyl-6-piperazin-1-ylindazole

C19H22N4 — CID 56670165

IUPAC3-ethyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C19H22N4/c1-2-18-17-9-8-16(22-12-10-20-11-13-22)14-19(17)23(21-18)15-6-4-3-5-7-15/h3-9,14,20H,2,10-13H2,1H3
InChIKeyPZZSAGCCWWPBMQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.00
Rot. Bonds3

About 3-ethyl-1-phenyl-6-piperazin-1-ylindazole

3-ethyl-1-phenyl-6-piperazin-1-ylindazole (PubChem CID 56670165) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-piperazin-1-ylindazole
PubChem CID56670165
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-ethyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C19H22N4/c1-2-18-17-9-8-16(22-12-10-20-11-13-22)14-19(17)23(21-18)15-6-4-3-5-7-15/h3-9,14,20H,2,10-13H2,1H3
InChIKeyPZZSAGCCWWPBMQ-UHFFFAOYSA-N
XLogP3.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-phenyl-6-piperazin-1-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 3-ethyl-1-phenyl-6-piperazin-1-ylindazole?
The IUPAC name of 3-ethyl-1-phenyl-6-piperazin-1-ylindazole (CID 56670165) is 3-ethyl-1-phenyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-piperazin-1-ylindazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-piperazin-1-ylindazole is CCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-piperazin-1-ylindazole?
The InChIKey is PZZSAGCCWWPBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-18-17-9-8-16(22-12-10-20-11-13-22)14-19(17)23(21-18)15-6-4-3-5-7-15/h3-9,14,20H,2,10-13H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-piperazin-1-ylindazole?
3-ethyl-1-phenyl-6-piperazin-1-ylindazole has a molecular weight of 306.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-piperazin-1-ylindazole is sourced from PubChem (CID 56670165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).