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

C18H12F3N3OS — CID 2753816

IUPAC2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C18H12F3N3OS/c1-25-12-6-4-11(5-7-12)13-10-17-22-14(15-3-2-8-26-15)9-16(18(19,20)21)24(17)23-13/h2-10H,1H3
InChIKeyWLJNZRKIMJCVPS-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.15
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2753816) has the molecular formula C18H12F3N3OS and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2753816
Molecular FormulaC18H12F3N3OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C18H12F3N3OS/c1-25-12-6-4-11(5-7-12)13-10-17-22-14(15-3-2-8-26-15)9-16(18(19,20)21)24(17)23-13/h2-10H,1H3
InChIKeyWLJNZRKIMJCVPS-UHFFFAOYSA-N
XLogP5.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2753816) is 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WLJNZRKIMJCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3OS/c1-25-12-6-4-11(5-7-12)13-10-17-22-14(15-3-2-8-26-15)9-16(18(19,20)21)24(17)23-13/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 375.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2753816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).