N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine

C14H20N4 — CID 3068041

IUPACN-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine
SMILESc1ccc2c(NCCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H20N4/c1-2-7-13-12(6-1)14(17-16-13)15-8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-11H2,(H2,15,16,17)
InChIKeyJZMAFMWIMRRBKR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine

N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine (PubChem CID 3068041) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine
PubChem CID3068041
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine
SMILESc1ccc2c(NCCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H20N4/c1-2-7-13-12(6-1)14(17-16-13)15-8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-11H2,(H2,15,16,17)
InChIKeyJZMAFMWIMRRBKR-UHFFFAOYSA-N
XLogP2.46
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine (CID 3068041) is N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine is c1ccc2c(NCCCN3CCCC3)n[nH]c2c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine?
The InChIKey is JZMAFMWIMRRBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-7-13-12(6-1)14(17-16-13)15-8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-11H2,(H2,15,16,17).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine?
N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine is sourced from PubChem (CID 3068041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).