2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

C12H12FN3O — CID 83862705

IUPAC2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CCOC2
InChIInChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12(14)10-7-17-6-5-11(10)15-16/h1-4H,5-7,14H2
InChIKeyFOVSQFMFBZOWQR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds1

About 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (PubChem CID 83862705) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
PubChem CID83862705
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CCOC2
InChIInChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12(14)10-7-17-6-5-11(10)15-16/h1-4H,5-7,14H2
InChIKeyFOVSQFMFBZOWQR-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (CID 83862705) is 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is Nc1c2c(nn1-c1ccc(F)cc1)CCOC2.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The InChIKey is FOVSQFMFBZOWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12(14)10-7-17-6-5-11(10)15-16/h1-4H,5-7,14H2.
What are the key properties of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine has a molecular weight of 233.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 83862705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).