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

C9H12F3N3 — CID 136841204

IUPAC3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-2-6-5-14-15-7(9(10,11)12)3-4-13-8(6)15/h5,7,13H,2-4H2,1H3
InChIKeyJYNSRHBVQWDUCN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.36
Rot. Bonds1

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

3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841204) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841204
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-2-6-5-14-15-7(9(10,11)12)3-4-13-8(6)15/h5,7,13H,2-4H2,1H3
InChIKeyJYNSRHBVQWDUCN-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135624510
1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
3,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837497
3-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136307804
5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137199621
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767335
7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4773137
5,7-Bis(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrimidin-3-YL cyanide
CID 4773457
4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 131984439
3-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837506
1-(4,4-Difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
CID 137100393

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841204) is 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2C(F)(F)F.
What is the InChIKey of 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JYNSRHBVQWDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-2-6-5-14-15-7(9(10,11)12)3-4-13-8(6)15/h5,7,13H,2-4H2,1H3.
What are the key properties of 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 219.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).