1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine

C14H20N4 — CID 168988256

IUPAC1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine
SMILESCC(C)n1ncc2c(N3CCCC3)c(N)ccc21
InChIInChI=1S/C14H20N4/c1-10(2)18-13-6-5-12(15)14(11(13)9-16-18)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyJELQEPOXPLKTHK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds2

About 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine

1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine (PubChem CID 168988256) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine
PubChem CID168988256
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine
SMILESCC(C)n1ncc2c(N3CCCC3)c(N)ccc21
InChIInChI=1S/C14H20N4/c1-10(2)18-13-6-5-12(15)14(11(13)9-16-18)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyJELQEPOXPLKTHK-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine 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 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine?
The IUPAC name of 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine (CID 168988256) is 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine.
What is the SMILES notation for 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine?
The canonical SMILES for 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine is CC(C)n1ncc2c(N3CCCC3)c(N)ccc21.
What is the InChIKey of 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine?
The InChIKey is JELQEPOXPLKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)18-13-6-5-12(15)14(11(13)9-16-18)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine?
1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-amine is sourced from PubChem (CID 168988256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).