2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine

C12H15F3N4 — CID 21192079

IUPAC2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESCc1cc(C(F)(F)F)nc2c(N)c(C(C)(C)C)nn12
InChIInChI=1S/C12H15F3N4/c1-6-5-7(12(13,14)15)17-10-8(16)9(11(2,3)4)18-19(6)10/h5H,16H2,1-4H3
InChIKeyTYVSWKIXUUKRAQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.94
Rot. Bonds

About 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine

2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 21192079) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID21192079
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESCc1cc(C(F)(F)F)nc2c(N)c(C(C)(C)C)nn12
InChIInChI=1S/C12H15F3N4/c1-6-5-7(12(13,14)15)17-10-8(16)9(11(2,3)4)18-19(6)10/h5H,16H2,1-4H3
InChIKeyTYVSWKIXUUKRAQ-UHFFFAOYSA-N
XLogP2.94
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine (CID 21192079) is 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine is Cc1cc(C(F)(F)F)nc2c(N)c(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is TYVSWKIXUUKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-6-5-7(12(13,14)15)17-10-8(16)9(11(2,3)4)18-19(6)10/h5H,16H2,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 272.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 21192079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).