5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H19F3N4O2 — CID 3628970

IUPAC5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-3-32-16-10-8-15(9-11-16)19-12-14(2)30-21(27-19)13-20(29-30)22(31)28-18-7-5-4-6-17(18)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31)
InChIKeyLPUFARNINJWHAM-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.37
Rot. Bonds5

About 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3628970) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3628970
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-3-32-16-10-8-15(9-11-16)19-12-14(2)30-21(27-19)13-20(29-30)22(31)28-18-7-5-4-6-17(18)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31)
InChIKeyLPUFARNINJWHAM-UHFFFAOYSA-N
XLogP5.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219508
N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219372
N-(2-chloro-3-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1110998
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53334301
5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451686
methyl 2-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
CID 1015610
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
methyl 2-[[4-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406873

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3628970) is 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(F)(F)F)cc3n2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LPUFARNINJWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-3-32-16-10-8-15(9-11-16)19-12-14(2)30-21(27-19)13-20(29-30)22(31)28-18-7-5-4-6-17(18)23(24,25)26/h4-13H,3H2,1-2H3,(H,28,31).
What are the key properties of 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3628970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).