3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine

C13H15F3N4 — CID 43381325

IUPAC3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H15F3N4/c1-12(2,3)9-6-10(17)20(19-9)11-5-4-8(7-18-11)13(14,15)16/h4-7H,17H2,1-3H3
InChIKeyXPCAQZIWNYPVQE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.17
Rot. Bonds1

About 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine

3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine (PubChem CID 43381325) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
PubChem CID43381325
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H15F3N4/c1-12(2,3)9-6-10(17)20(19-9)11-5-4-8(7-18-11)13(14,15)16/h4-7H,17H2,1-3H3
InChIKeyXPCAQZIWNYPVQE-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine (CID 43381325) is 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The InChIKey is XPCAQZIWNYPVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-12(2,3)9-6-10(17)20(19-9)11-5-4-8(7-18-11)13(14,15)16/h4-7H,17H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine is sourced from PubChem (CID 43381325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).