5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25F3N4O3 — CID 24771553

IUPAC5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCOCc3ccccc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H25F3N4O3/c1-17-22(14-20-9-6-10-21(13-20)36-26(27,28)29)18(2)33-24(32-17)23(15-31-33)25(34)30-11-12-35-16-19-7-4-3-5-8-19/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,34)
InChIKeyKQMRXHRQBXBGBI-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.78
Rot. Bonds9

About 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771553) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771553
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCOCc3ccccc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H25F3N4O3/c1-17-22(14-20-9-6-10-21(13-20)36-26(27,28)29)18(2)33-24(32-17)23(15-31-33)25(34)30-11-12-35-16-19-7-4-3-5-8-19/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,34)
InChIKeyKQMRXHRQBXBGBI-UHFFFAOYSA-N
XLogP4.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,7-dimethyl-N-(2-phenylmethoxyethyl)-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-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771553) is 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCOCc3ccccc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KQMRXHRQBXBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-17-22(14-20-9-6-10-21(13-20)36-26(27,28)29)18(2)33-24(32-17)23(15-31-33)25(34)30-11-12-35-16-19-7-4-3-5-8-19/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,34).
What are the key properties of 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-phenylmethoxyethyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).