3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine

C11H14FN3 — CID 13309524

IUPAC3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESCCC1CC(N)=NN1c1ccc(F)cc1
InChIInChI=1S/C11H14FN3/c1-2-9-7-11(13)14-15(9)10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3,(H2,13,14)
InChIKeyGIUYDTLZQROXGL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.09
Rot. Bonds2

About 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine

3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 13309524) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID13309524
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
SMILESCCC1CC(N)=NN1c1ccc(F)cc1
InChIInChI=1S/C11H14FN3/c1-2-9-7-11(13)14-15(9)10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3,(H2,13,14)
InChIKeyGIUYDTLZQROXGL-UHFFFAOYSA-N
XLogP2.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine (CID 13309524) is 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine is CCC1CC(N)=NN1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is GIUYDTLZQROXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-9-7-11(13)14-15(9)10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3,(H2,13,14).
What are the key properties of 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine?
3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 207.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 13309524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).