2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

C13H14FN3 — CID 65348458

IUPAC2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C13H14FN3/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16-17/h5-8H,1-4,15H2
InChIKeyQKANHPQGWJSQIA-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65348458) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65348458
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C13H14FN3/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16-17/h5-8H,1-4,15H2
InChIKeyQKANHPQGWJSQIA-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65348458) is 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1-c1ccc(F)cc1)CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is QKANHPQGWJSQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16-17/h5-8H,1-4,15H2.
What are the key properties of 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 231.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65348458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).