5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22F3N5O3 — CID 24771402

IUPAC5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cnn2c(C)c(Cc3cccc(OC(F)(F)F)c3)c(C)nc12
InChIInChI=1S/C21H22F3N5O3/c1-12-16(10-14-5-4-6-15(9-14)32-21(22,23)24)13(2)29-19(28-12)17(11-27-29)20(31)26-8-7-18(30)25-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyYWHIDCXYUINAIH-UHFFFAOYSA-N
MW449.43 g/mol
LogP2.70
Rot. Bonds7

About 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771402) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771402
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC Name5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cnn2c(C)c(Cc3cccc(OC(F)(F)F)c3)c(C)nc12
InChIInChI=1S/C21H22F3N5O3/c1-12-16(10-14-5-4-6-15(9-14)32-21(22,23)24)13(2)29-19(28-12)17(11-27-29)20(31)26-8-7-18(30)25-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyYWHIDCXYUINAIH-UHFFFAOYSA-N
XLogP2.70
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771402) is 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)CCNC(=O)c1cnn2c(C)c(Cc3cccc(OC(F)(F)F)c3)c(C)nc12.
What is the InChIKey of 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YWHIDCXYUINAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c1-12-16(10-14-5-4-6-15(9-14)32-21(22,23)24)13(2)29-19(28-12)17(11-27-29)20(31)26-8-7-18(30)25-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[3-(methylamino)-3-oxopropyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).