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

C15H16F3N3 — CID 136841203

IUPAC3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-2-10-9-20-21-13(7-8-19-14(10)21)11-5-3-4-6-12(11)15(16,17)18/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyPGCUACOFIGIJCS-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.87
Rot. Bonds2

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

3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841203) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841203
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-2-10-9-20-21-13(7-8-19-14(10)21)11-5-3-4-6-12(11)15(16,17)18/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyPGCUACOFIGIJCS-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841203) is 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2c1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PGCUACOFIGIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-10-9-20-21-13(7-8-19-14(10)21)11-5-3-4-6-12(11)15(16,17)18/h3-6,9,13,19H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 295.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).