7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H22F3N3 — CID 136837377

IUPAC7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1cc2n(n1)C(C(F)(F)F)CCN2)C(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-9(13(2,3)4)7-10-8-12-18-6-5-11(14(15,16)17)20(12)19-10/h8-9,11,18H,5-7H2,1-4H3
InChIKeyVOKRSHWLFAEHCB-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.03
Rot. Bonds2

About 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837377) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837377
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1cc2n(n1)C(C(F)(F)F)CCN2)C(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-9(13(2,3)4)7-10-8-12-18-6-5-11(14(15,16)17)20(12)19-10/h8-9,11,18H,5-7H2,1-4H3
InChIKeyVOKRSHWLFAEHCB-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837377) is 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(Cc1cc2n(n1)C(C(F)(F)F)CCN2)C(C)(C)C.
What is the InChIKey of 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VOKRSHWLFAEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9(13(2,3)4)7-10-8-12-18-6-5-11(14(15,16)17)20(12)19-10/h8-9,11,18H,5-7H2,1-4H3.
What are the key properties of 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 289.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).