N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H20F3N5O3 — CID 6615949

IUPACN-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1OC
InChIInChI=1S/C25H20F3N5O3/c1-35-20-9-8-16(12-21(20)36-2)19-13-22(25(26,27)28)33-23(32-19)18(14-30-33)24(34)31-17-7-3-5-15(11-17)6-4-10-29/h3,5,7-9,11-14H,4,6H2,1-2H3,(H,31,34)
InChIKeyYUQMEAJDEZBKEF-UHFFFAOYSA-N
MW495.46 g/mol
LogP5.14
Rot. Bonds7

About N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 6615949) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID6615949
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC NameN-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1OC
InChIInChI=1S/C25H20F3N5O3/c1-35-20-9-8-16(12-21(20)36-2)19-13-22(25(26,27)28)33-23(32-19)18(14-30-33)24(34)31-17-7-3-5-15(11-17)6-4-10-29/h3,5,7-9,11-14H,4,6H2,1-2H3,(H,31,34)
InChIKeyYUQMEAJDEZBKEF-UHFFFAOYSA-N
XLogP5.14
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)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 N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 6615949) is N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1OC.
What is the InChIKey of N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YUQMEAJDEZBKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-35-20-9-8-16(12-21(20)36-2)19-13-22(25(26,27)28)33-23(32-19)18(14-30-33)24(34)31-17-7-3-5-15(11-17)6-4-10-29/h3,5,7-9,11-14H,4,6H2,1-2H3,(H,31,34).
What are the key properties of N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 6615949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).