N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine

C12H14F3N5 — CID 166312541

IUPACN-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)(C)n1cc(Nc2cncc(C(F)(F)F)n2)cn1
InChIInChI=1S/C12H14F3N5/c1-11(2,3)20-7-8(4-17-20)18-10-6-16-5-9(19-10)12(13,14)15/h4-7H,1-3H3,(H,18,19)
InChIKeyHSCFBTFLWRKJGY-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.19
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine

N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 166312541) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine
PubChem CID166312541
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)(C)n1cc(Nc2cncc(C(F)(F)F)n2)cn1
InChIInChI=1S/C12H14F3N5/c1-11(2,3)20-7-8(4-17-20)18-10-6-16-5-9(19-10)12(13,14)15/h4-7H,1-3H3,(H,18,19)
InChIKeyHSCFBTFLWRKJGY-UHFFFAOYSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine (CID 166312541) is N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine is CC(C)(C)n1cc(Nc2cncc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HSCFBTFLWRKJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-11(2,3)20-7-8(4-17-20)18-10-6-16-5-9(19-10)12(13,14)15/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine?
N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 166312541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).