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

C10H16F3N3 — CID 170734184

IUPACethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cnn2c1NCCC2C(F)(F)F
InChIInChI=1S/C8H10F3N3.C2H6/c1-5-4-13-14-6(8(9,10)11)2-3-12-7(5)14;1-2/h4,6,12H,2-3H2,1H3;1-2H3
InChIKeyVJRVNQYPVAEWMP-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.14
Rot. Bonds

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

ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 170734184) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID170734184
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Nameethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cnn2c1NCCC2C(F)(F)F
InChIInChI=1S/C8H10F3N3.C2H6/c1-5-4-13-14-6(8(9,10)11)2-3-12-7(5)14;1-2/h4,6,12H,2-3H2,1H3;1-2H3
InChIKeyVJRVNQYPVAEWMP-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 170734184) is ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC.Cc1cnn2c1NCCC2C(F)(F)F.
What is the InChIKey of ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VJRVNQYPVAEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.C2H6/c1-5-4-13-14-6(8(9,10)11)2-3-12-7(5)14;1-2/h4,6,12H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 235.25 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170734184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).