1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine

C11H13F3N4 — CID 138110308

IUPAC1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)(C)n1nc(N)c2ncc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-10(2,3)18-7-4-6(11(12,13)14)5-16-8(7)9(15)17-18/h4-5H,1-3H3,(H2,15,17)
InChIKeyQZSABKLAUJEQJT-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.79
Rot. Bonds

About 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine

1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 138110308) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine
PubChem CID138110308
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)(C)n1nc(N)c2ncc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-10(2,3)18-7-4-6(11(12,13)14)5-16-8(7)9(15)17-18/h4-5H,1-3H3,(H2,15,17)
InChIKeyQZSABKLAUJEQJT-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine (CID 138110308) is 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine is CC(C)(C)n1nc(N)c2ncc(C(F)(F)F)cc21.
What is the InChIKey of 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is QZSABKLAUJEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-10(2,3)18-7-4-6(11(12,13)14)5-16-8(7)9(15)17-18/h4-5H,1-3H3,(H2,15,17).
What are the key properties of 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine?
1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 258.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 138110308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).