3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine

C15H14N4 — CID 69447545

IUPAC3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccnc(C4CC4)c3)c2c1
InChIInChI=1S/C15H14N4/c16-11-3-4-13-12(8-11)15(19-18-13)10-5-6-17-14(7-10)9-1-2-9/h3-9H,1-2,16H2,(H,18,19)
InChIKeyWPZODWKTHZGEGM-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.08
Rot. Bonds2

About 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine

3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine (PubChem CID 69447545) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine
PubChem CID69447545
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(-c3ccnc(C4CC4)c3)c2c1
InChIInChI=1S/C15H14N4/c16-11-3-4-13-12(8-11)15(19-18-13)10-5-6-17-14(7-10)9-1-2-9/h3-9H,1-2,16H2,(H,18,19)
InChIKeyWPZODWKTHZGEGM-UHFFFAOYSA-N
XLogP3.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine?
The IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine (CID 69447545) is 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine.
What is the SMILES notation for 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine?
The canonical SMILES for 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine is Nc1ccc2[nH]nc(-c3ccnc(C4CC4)c3)c2c1.
What is the InChIKey of 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine?
The InChIKey is WPZODWKTHZGEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-11-3-4-13-12(8-11)15(19-18-13)10-5-6-17-14(7-10)9-1-2-9/h3-9H,1-2,16H2,(H,18,19).
What are the key properties of 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine?
3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine has a molecular weight of 250.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine is sourced from PubChem (CID 69447545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).