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

C24H21F3N4O3 — CID 1371904

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H21F3N4O3/c1-4-14-7-5-6-8-16(14)29-23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)30-18)15-9-10-19(33-2)20(11-15)34-3/h5-13H,4H2,1-3H3,(H,29,32)
InChIKeyCPVOXTDLLGZFKK-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.25
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1371904) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1371904
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H21F3N4O3/c1-4-14-7-5-6-8-16(14)29-23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)30-18)15-9-10-19(33-2)20(11-15)34-3/h5-13H,4H2,1-3H3,(H,29,32)
InChIKeyCPVOXTDLLGZFKK-UHFFFAOYSA-N
XLogP5.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1371904) is 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccccc1NC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CPVOXTDLLGZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-4-14-7-5-6-8-16(14)29-23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)30-18)15-9-10-19(33-2)20(11-15)34-3/h5-13H,4H2,1-3H3,(H,29,32).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).