5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H12F3N3OS — CID 162669616

IUPAC5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)c1
InChIInChI=1S/C18H12F3N3OS/c1-25-12-5-2-4-11(8-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-6-3-7-26-15/h2-10H,1H3
InChIKeyHOTTTYVUXULYHX-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.15
Rot. Bonds3

About 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162669616) has the molecular formula C18H12F3N3OS and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162669616
Molecular FormulaC18H12F3N3OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)c1
InChIInChI=1S/C18H12F3N3OS/c1-25-12-5-2-4-11(8-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-6-3-7-26-15/h2-10H,1H3
InChIKeyHOTTTYVUXULYHX-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 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 162669616) is 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HOTTTYVUXULYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3OS/c1-25-12-5-2-4-11(8-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-6-3-7-26-15/h2-10H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(3-methoxyphenyl)-2-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 5-(3-methoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162669616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).