2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide

C25H23F3N4O — CID 123873391

IUPAC2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCC(c1ccccc1)C(C)(C(N)=O)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C25H23F3N4O/c1-3-20(17-7-5-4-6-8-17)24(2,23(29)33)21-13-14-30-22-19(15-31-32(21)22)16-9-11-18(12-10-16)25(26,27)28/h4-15,20H,3H2,1-2H3,(H2,29,33)
InChIKeyHTUFEPFPWJJWBE-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.35
Rot. Bonds6

About 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide

2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide (PubChem CID 123873391) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide
PubChem CID123873391
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC Name2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCC(c1ccccc1)C(C)(C(N)=O)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C25H23F3N4O/c1-3-20(17-7-5-4-6-8-17)24(2,23(29)33)21-13-14-30-22-19(15-31-32(21)22)16-9-11-18(12-10-16)25(26,27)28/h4-15,20H,3H2,1-2H3,(H2,29,33)
InChIKeyHTUFEPFPWJJWBE-UHFFFAOYSA-N
XLogP5.35
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide 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-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The IUPAC name of 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide (CID 123873391) is 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide.
What is the SMILES notation for 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The canonical SMILES for 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide is CCC(c1ccccc1)C(C)(C(N)=O)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12.
What is the InChIKey of 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The InChIKey is HTUFEPFPWJJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c1-3-20(17-7-5-4-6-8-17)24(2,23(29)33)21-13-14-30-22-19(15-31-32(21)22)16-9-11-18(12-10-16)25(26,27)28/h4-15,20H,3H2,1-2H3,(H2,29,33).
What are the key properties of 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide?
2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide has a molecular weight of 452.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide is sourced from PubChem (CID 123873391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).