3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole

C23H25ClN4 — CID 10023466

IUPAC3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
SMILESClc1ccccc1CCN1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H25ClN4/c24-21-8-4-2-6-18(21)11-12-27-13-15-28(16-14-27)23-20-10-9-17-5-1-3-7-19(17)22(20)25-26-23/h1-8H,9-16H2,(H,25,26)
InChIKeyDBPSAINLCKSSJL-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.19
Rot. Bonds4

About 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole

3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 10023466) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
PubChem CID10023466
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
SMILESClc1ccccc1CCN1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H25ClN4/c24-21-8-4-2-6-18(21)11-12-27-13-15-28(16-14-27)23-20-10-9-17-5-1-3-7-19(17)22(20)25-26-23/h1-8H,9-16H2,(H,25,26)
InChIKeyDBPSAINLCKSSJL-UHFFFAOYSA-N
XLogP4.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole 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-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole (CID 10023466) is 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole is Clc1ccccc1CCN1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is DBPSAINLCKSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4/c24-21-8-4-2-6-18(21)11-12-27-13-15-28(16-14-27)23-20-10-9-17-5-1-3-7-19(17)22(20)25-26-23/h1-8H,9-16H2,(H,25,26).
What are the key properties of 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 392.93 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 10023466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).