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

C11H16F3N3 — CID 136837984

IUPAC2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NC(C)CC2C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-4-8-7(3)10-15-6(2)5-9(11(12,13)14)17(10)16-8/h6,9,15H,4-5H2,1-3H3
InChIKeyTYADGKKUXMKSLV-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.06
Rot. Bonds1

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

2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837984) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837984
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NC(C)CC2C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-4-8-7(3)10-15-6(2)5-9(11(12,13)14)17(10)16-8/h6,9,15H,4-5H2,1-3H3
InChIKeyTYADGKKUXMKSLV-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837984) is 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1nn2c(c1C)NC(C)CC2C(F)(F)F.
What is the InChIKey of 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is TYADGKKUXMKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-4-8-7(3)10-15-6(2)5-9(11(12,13)14)17(10)16-8/h6,9,15H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 247.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).