3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole

C13H17ClN4 — CID 117416280

IUPAC3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole
SMILESClc1[nH]nc2cc(CCN3CCNCC3)ccc12
InChIInChI=1S/C13H17ClN4/c14-13-11-2-1-10(9-12(11)16-17-13)3-6-18-7-4-15-5-8-18/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyGHZGGYZXBBBYJN-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.66
Rot. Bonds3

About 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole

3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole (PubChem CID 117416280) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole.

Molecular Properties

Compound Name3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole
PubChem CID117416280
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole
SMILESClc1[nH]nc2cc(CCN3CCNCC3)ccc12
InChIInChI=1S/C13H17ClN4/c14-13-11-2-1-10(9-12(11)16-17-13)3-6-18-7-4-15-5-8-18/h1-2,9,15H,3-8H2,(H,16,17)
InChIKeyGHZGGYZXBBBYJN-UHFFFAOYSA-N
XLogP1.66
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
CID 117380176
5-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 82498602
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 98033974
N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
CID 117287420
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117492854
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
CID 84690273
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 117481410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole?
The IUPAC name of 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole (CID 117416280) is 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole.
What is the SMILES notation for 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole?
The canonical SMILES for 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole is Clc1[nH]nc2cc(CCN3CCNCC3)ccc12.
What is the InChIKey of 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole?
The InChIKey is GHZGGYZXBBBYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c14-13-11-2-1-10(9-12(11)16-17-13)3-6-18-7-4-15-5-8-18/h1-2,9,15H,3-8H2,(H,16,17).
What are the key properties of 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole?
3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole has a molecular weight of 264.76 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole is sourced from PubChem (CID 117416280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).