4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C8H10F3N3 — CID 134577423

IUPAC4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCN1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C8H10F3N3/c1-13-5-3-6(8(9,10)11)14-7(13)2-4-12-14/h2,4,6H,3,5H2,1H3
InChIKeySKMBCVIZUJJLOH-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.83
Rot. Bonds

About 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134577423) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134577423
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCN1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C8H10F3N3/c1-13-5-3-6(8(9,10)11)14-7(13)2-4-12-14/h2,4,6H,3,5H2,1H3
InChIKeySKMBCVIZUJJLOH-UHFFFAOYSA-N
XLogP1.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134577423) is 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is CN1CCC(C(F)(F)F)n2nccc21.
What is the InChIKey of 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is SKMBCVIZUJJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-5-3-6(8(9,10)11)14-7(13)2-4-12-14/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 205.18 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134577423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).