2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

C21H22F3N3O — CID 71270906

IUPAC2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C21H22F3N3O/c1-13-16(4-3-5-18(13)21(22,23)24)12-17-14(2)26-27-9-6-19(25-20(17)27)15-7-10-28-11-8-15/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyAQHVGCSFPGBOQG-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.85
Rot. Bonds3

About 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 71270906) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID71270906
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C21H22F3N3O/c1-13-16(4-3-5-18(13)21(22,23)24)12-17-14(2)26-27-9-6-19(25-20(17)27)15-7-10-28-11-8-15/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyAQHVGCSFPGBOQG-UHFFFAOYSA-N
XLogP4.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (CID 71270906) is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQHVGCSFPGBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-13-16(4-3-5-18(13)21(22,23)24)12-17-14(2)26-27-9-6-19(25-20(17)27)15-7-10-28-11-8-15/h3-6,9,15H,7-8,10-12H2,1-2H3.
What are the key properties of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 389.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71270906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).