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

C14H20N4 — CID 3028865

IUPAC1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine
SMILESNc1nn(CCCN2CCCC2)c2ccccc12
InChIInChI=1S/C14H20N4/c15-14-12-6-1-2-7-13(12)18(16-14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H2,15,16)
InChIKeyWSWLPHHBANVYOQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds4

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

1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine (PubChem CID 3028865) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine
PubChem CID3028865
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine
SMILESNc1nn(CCCN2CCCC2)c2ccccc12
InChIInChI=1S/C14H20N4/c15-14-12-6-1-2-7-13(12)18(16-14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H2,15,16)
InChIKeyWSWLPHHBANVYOQ-UHFFFAOYSA-N
XLogP2.10
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine (CID 3028865) is 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine is Nc1nn(CCCN2CCCC2)c2ccccc12.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine?
The InChIKey is WSWLPHHBANVYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-14-12-6-1-2-7-13(12)18(16-14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H2,15,16).
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine?
1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)indazol-3-amine is sourced from PubChem (CID 3028865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).