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

C8H10F3N3 — CID 135833150

IUPAC2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)CC(C(F)(F)F)CN2
InChIInChI=1S/C8H10F3N3/c1-5-2-7-12-3-6(8(9,10)11)4-14(7)13-5/h2,6,12H,3-4H2,1H3
InChIKeyYUQAVILCPARHDM-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.80
Rot. Bonds

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

2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135833150) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135833150
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)CC(C(F)(F)F)CN2
InChIInChI=1S/C8H10F3N3/c1-5-2-7-12-3-6(8(9,10)11)4-14(7)13-5/h2,6,12H,3-4H2,1H3
InChIKeyYUQAVILCPARHDM-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135833150) is 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)CC(C(F)(F)F)CN2.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YUQAVILCPARHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-2-7-12-3-6(8(9,10)11)4-14(7)13-5/h2,6,12H,3-4H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 205.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135833150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).