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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Related Compounds

2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
CID 65348648
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 83862705
2-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 79149663
2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 105422324
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348310
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353443
2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348974
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
2-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348550

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).