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

C7H8F3N3 — CID 135624510

IUPAC7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2ccnn21
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-1-3-11-6-2-4-12-13(5)6/h2,4-5,11H,1,3H2
InChIKeyYIPHHUWPOZZPOU-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.80
Rot. Bonds

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

7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135624510) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135624510
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2ccnn21
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-1-3-11-6-2-4-12-13(5)6/h2,4-5,11H,1,3H2
InChIKeyYIPHHUWPOZZPOU-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135627629
3,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837497
3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 137131950
3-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329515
1-(2,2-difluorocyclopropyl)-1H-pyrazol-5-amine hydrochloride
CID 138046199
4,7-Dihydropyrazolo[1,5-a]pyrimidine
CID 135745164
1,2,3,4-Tetrahydropyrazolo[1,5-a][1,3,5]triazine
CID 153527727
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135624510) is 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)(F)C1CCNc2ccnn21.
What is the InChIKey of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YIPHHUWPOZZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)5-1-3-11-6-2-4-12-13(5)6/h2,4-5,11H,1,3H2.
What are the key properties of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 191.16 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 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).