2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

C28H29F3N4O2 — CID 118731298

IUPAC2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-23-26(33-35-19(4)15-18(3)32-27(23)35)20-11-13-22(14-12-20)37-17-21-9-7-8-10-24(21)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3
InChIKeyOZGGBPYLCONICH-UHFFFAOYSA-N
MW510.56 g/mol
LogP6.02
Rot. Bonds8

About 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (PubChem CID 118731298) has the molecular formula C28H29F3N4O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
PubChem CID118731298
Molecular FormulaC28H29F3N4O2
Molecular Weight510.56 g/mol
Exact Mass510.22
IUPAC Name2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-23-26(33-35-19(4)15-18(3)32-27(23)35)20-11-13-22(14-12-20)37-17-21-9-7-8-10-24(21)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3
InChIKeyOZGGBPYLCONICH-UHFFFAOYSA-N
XLogP6.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide 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-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (CID 118731298) is 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)nn2c(C)cc(C)nc12.
What is the InChIKey of 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The InChIKey is OZGGBPYLCONICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-23-26(33-35-19(4)15-18(3)32-27(23)35)20-11-13-22(14-12-20)37-17-21-9-7-8-10-24(21)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3.
What are the key properties of 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide has a molecular weight of 510.56 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 118731298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).