N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H14BrF3N4O2 — CID 1111193

IUPACN-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C22H14BrF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-11H,1H3,(H,27,32)
InChIKeyNGIVQLUJBFIARE-UHFFFAOYSA-N
MW503.28 g/mol
LogP5.63
Rot. Bonds4

About N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1111193) has the molecular formula C22H14BrF3N4O2 and a molecular weight of 503.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1111193
Molecular FormulaC22H14BrF3N4O2
Molecular Weight503.28 g/mol
Exact Mass502.03
IUPAC NameN-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C22H14BrF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-11H,1H3,(H,27,32)
InChIKeyNGIVQLUJBFIARE-UHFFFAOYSA-N
XLogP5.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1111193) is N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NGIVQLUJBFIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-11H,1H3,(H,27,32).
What are the key properties of N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 503.28 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1111193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).