1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine

C8H10F3N3 — CID 162341282

IUPAC1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(C2CCC2)nc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-6(12)4-14(13-7)5-2-1-3-5/h4-5H,1-3,12H2
InChIKeyUYIDCGBSEITODZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.21
Rot. Bonds1

About 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine

1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 162341282) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID162341282
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(C2CCC2)nc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-6(12)4-14(13-7)5-2-1-3-5/h4-5H,1-3,12H2
InChIKeyUYIDCGBSEITODZ-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine (CID 162341282) is 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine is Nc1cn(C2CCC2)nc1C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is UYIDCGBSEITODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)7-6(12)4-14(13-7)5-2-1-3-5/h4-5H,1-3,12H2.
What are the key properties of 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine?
1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 205.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 162341282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).