1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine

C8H12F3N3 — CID 165479766

IUPAC1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine
SMILESCC(Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(2-8(9,10)11)4-14-5-7(12)3-13-14/h3,5-6H,2,4,12H2,1H3
InChIKeyUGVZZCIQVKNHLP-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.05
Rot. Bonds3

About 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine

1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine (PubChem CID 165479766) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine
PubChem CID165479766
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine
SMILESCC(Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(2-8(9,10)11)4-14-5-7(12)3-13-14/h3,5-6H,2,4,12H2,1H3
InChIKeyUGVZZCIQVKNHLP-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine?
The IUPAC name of 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine (CID 165479766) is 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine?
The canonical SMILES for 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine is CC(Cn1cc(N)cn1)CC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine?
The InChIKey is UGVZZCIQVKNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(2-8(9,10)11)4-14-5-7(12)3-13-14/h3,5-6H,2,4,12H2,1H3.
What are the key properties of 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine?
1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine has a molecular weight of 207.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine is sourced from PubChem (CID 165479766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).