3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine

C6H12FN3 — CID 178039731

IUPAC3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine
SMILESCC(C)C1NN=C(F)C1N
InChIInChI=1S/C6H12FN3/c1-3(2)5-4(8)6(7)10-9-5/h3-5,9H,8H2,1-2H3
InChIKeyHQHOEGGTYMCLFW-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.22
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine

3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine (PubChem CID 178039731) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine
PubChem CID178039731
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine
SMILESCC(C)C1NN=C(F)C1N
InChIInChI=1S/C6H12FN3/c1-3(2)5-4(8)6(7)10-9-5/h3-5,9H,8H2,1-2H3
InChIKeyHQHOEGGTYMCLFW-UHFFFAOYSA-N
XLogP0.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-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 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine?
The IUPAC name of 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine (CID 178039731) is 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine?
The canonical SMILES for 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine is CC(C)C1NN=C(F)C1N.
What is the InChIKey of 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine?
The InChIKey is HQHOEGGTYMCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-3(2)5-4(8)6(7)10-9-5/h3-5,9H,8H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine?
3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine has a molecular weight of 145.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine is sourced from PubChem (CID 178039731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).