1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine

C11H14FN3 — CID 135232950

IUPAC1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCCC1C=CC(n2ccc(N)n2)=CC1F
InChIInChI=1S/C11H14FN3/c1-2-8-3-4-9(7-10(8)12)15-6-5-11(13)14-15/h3-8,10H,2H2,1H3,(H2,13,14)
InChIKeyOXKOYGBKTPUJCG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.24
Rot. Bonds2

About 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine

1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine (PubChem CID 135232950) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
PubChem CID135232950
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCCC1C=CC(n2ccc(N)n2)=CC1F
InChIInChI=1S/C11H14FN3/c1-2-8-3-4-9(7-10(8)12)15-6-5-11(13)14-15/h3-8,10H,2H2,1H3,(H2,13,14)
InChIKeyOXKOYGBKTPUJCG-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The IUPAC name of 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine (CID 135232950) is 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The canonical SMILES for 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine is CCC1C=CC(n2ccc(N)n2)=CC1F.
What is the InChIKey of 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The InChIKey is OXKOYGBKTPUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-8-3-4-9(7-10(8)12)15-6-5-11(13)14-15/h3-8,10H,2H2,1H3,(H2,13,14).
What are the key properties of 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine has a molecular weight of 207.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine is sourced from PubChem (CID 135232950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).