3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole

C17H25N5 — CID 77421538

IUPAC3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
SMILESc1ccc2c(N3CCN(CCC4CCCN4)CC3)n[nH]c2c1
InChIInChI=1S/C17H25N5/c1-2-6-16-15(5-1)17(20-19-16)22-12-10-21(11-13-22)9-7-14-4-3-8-18-14/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,20)
InChIKeyNTHIJMVXWTZRSR-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.83
Rot. Bonds4

About 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole

3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole (PubChem CID 77421538) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole.

Molecular Properties

Compound Name3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
PubChem CID77421538
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
SMILESc1ccc2c(N3CCN(CCC4CCCN4)CC3)n[nH]c2c1
InChIInChI=1S/C17H25N5/c1-2-6-16-15(5-1)17(20-19-16)22-12-10-21(11-13-22)9-7-14-4-3-8-18-14/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,20)
InChIKeyNTHIJMVXWTZRSR-UHFFFAOYSA-N
XLogP1.83
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-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-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole?
The IUPAC name of 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole (CID 77421538) is 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole.
What is the SMILES notation for 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole?
The canonical SMILES for 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole is c1ccc2c(N3CCN(CCC4CCCN4)CC3)n[nH]c2c1.
What is the InChIKey of 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole?
The InChIKey is NTHIJMVXWTZRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-6-16-15(5-1)17(20-19-16)22-12-10-21(11-13-22)9-7-14-4-3-8-18-14/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,20).
What are the key properties of 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole?
3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole has a molecular weight of 299.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole is sourced from PubChem (CID 77421538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).