methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C16H12F3N3O3 — CID 1365409

IUPACmethyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H12F3N3O3/c1-24-10-5-3-9(4-6-10)11-7-13(16(17,18)19)22-14(20-11)8-12(21-22)15(23)25-2/h3-8H,1-2H3
InChIKeyFDFPHYMLEJKYIS-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.21
Rot. Bonds3

About methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 1365409) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID1365409
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Namemethyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H12F3N3O3/c1-24-10-5-3-9(4-6-10)11-7-13(16(17,18)19)22-14(20-11)8-12(21-22)15(23)25-2/h3-8H,1-2H3
InChIKeyFDFPHYMLEJKYIS-UHFFFAOYSA-N
XLogP3.21
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1046563
5-(3,4-dimethoxyphenyl)-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4431057
7-(4-Methoxyphenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774630
5-(4-Ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 726942
1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
Ethyl 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1100812
[3-Chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 1113800
N-[(Adamantan-1-YL)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 4235035
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1046582

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 1365409) is methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FDFPHYMLEJKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-24-10-5-3-9(4-6-10)11-7-13(16(17,18)19)22-14(20-11)8-12(21-22)15(23)25-2/h3-8H,1-2H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 351.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 1365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).