(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine

C13H14FN3 — CID 96730162

IUPAC(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESN[C@H]1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C13H14FN3/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16-17/h1-2,4,6,8,11H,3,5,7,15H2/t11-/m0/s1
InChIKeyHSWNJHBLQQJBQU-NSHDSACASA-N
MW231.27 g/mol
LogP2.35
Rot. Bonds1

About (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 96730162) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID96730162
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESN[C@H]1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C13H14FN3/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16-17/h1-2,4,6,8,11H,3,5,7,15H2/t11-/m0/s1
InChIKeyHSWNJHBLQQJBQU-NSHDSACASA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 96730162) is (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine is N[C@H]1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is HSWNJHBLQQJBQU-NSHDSACASA-N. The full InChI is InChI=1S/C13H14FN3/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16-17/h1-2,4,6,8,11H,3,5,7,15H2/t11-/m0/s1.
What are the key properties of (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 231.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 96730162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).