2-(2-pyrrolidin-1-ylethyl)indazol-4-amine

C13H18N4 — CID 11401973

IUPAC2-(2-pyrrolidin-1-ylethyl)indazol-4-amine
SMILESNc1cccc2nn(CCN3CCCC3)cc12
InChIInChI=1S/C13H18N4/c14-12-4-3-5-13-11(12)10-17(15-13)9-8-16-6-1-2-7-16/h3-5,10H,1-2,6-9,14H2
InChIKeyTYFORLPBGDUDTP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine

2-(2-pyrrolidin-1-ylethyl)indazol-4-amine (PubChem CID 11401973) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)indazol-4-amine
PubChem CID11401973
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(2-pyrrolidin-1-ylethyl)indazol-4-amine
SMILESNc1cccc2nn(CCN3CCCC3)cc12
InChIInChI=1S/C13H18N4/c14-12-4-3-5-13-11(12)10-17(15-13)9-8-16-6-1-2-7-16/h3-5,10H,1-2,6-9,14H2
InChIKeyTYFORLPBGDUDTP-UHFFFAOYSA-N
XLogP1.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine (CID 11401973) is 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine is Nc1cccc2nn(CCN3CCCC3)cc12.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine?
The InChIKey is TYFORLPBGDUDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-12-4-3-5-13-11(12)10-17(15-13)9-8-16-6-1-2-7-16/h3-5,10H,1-2,6-9,14H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine?
2-(2-pyrrolidin-1-ylethyl)indazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)indazol-4-amine is sourced from PubChem (CID 11401973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).