7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C17H14F3N3O5 — CID 659861

IUPAC7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc(OC)c1OC
InChIInChI=1S/C17H14F3N3O5/c1-26-11-4-8(5-12(27-2)14(11)28-3)10-6-13(17(18,19)20)23-15(22-10)9(7-21-23)16(24)25/h4-7H,1-3H3,(H,24,25)
InChIKeyZSJWUTDWLJSARP-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.14
Rot. Bonds5

About 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 659861) has the molecular formula C17H14F3N3O5 and a molecular weight of 397.31 g/mol. Its IUPAC name is 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID659861
Molecular FormulaC17H14F3N3O5
Molecular Weight397.31 g/mol
Exact Mass397.09
IUPAC Name7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc(OC)c1OC
InChIInChI=1S/C17H14F3N3O5/c1-26-11-4-8(5-12(27-2)14(11)28-3)10-6-13(17(18,19)20)23-15(22-10)9(7-21-23)16(24)25/h4-7H,1-3H3,(H,24,25)
InChIKeyZSJWUTDWLJSARP-UHFFFAOYSA-N
XLogP3.14
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 659861) is 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZSJWUTDWLJSARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5/c1-26-11-4-8(5-12(27-2)14(11)28-3)10-6-13(17(18,19)20)23-15(22-10)9(7-21-23)16(24)25/h4-7H,1-3H3,(H,24,25).
What are the key properties of 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 397.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 659861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).