3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H14F3N3OS — CID 1285128

IUPAC3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1
InChIInChI=1S/C19H14F3N3OS/c1-11-17(12-5-7-13(26-2)8-6-12)18-23-14(15-4-3-9-27-15)10-16(19(20,21)22)25(18)24-11/h3-10H,1-2H3
InChIKeyOSAFMUOPRWFVAK-UHFFFAOYSA-N
MW389.40 g/mol
LogP5.46
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1285128) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1285128
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1
InChIInChI=1S/C19H14F3N3OS/c1-11-17(12-5-7-13(26-2)8-6-12)18-23-14(15-4-3-9-27-15)10-16(19(20,21)22)25(18)24-11/h3-10H,1-2H3
InChIKeyOSAFMUOPRWFVAK-UHFFFAOYSA-N
XLogP5.46
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1285128) is 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OSAFMUOPRWFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c1-11-17(12-5-7-13(26-2)8-6-12)18-23-14(15-4-3-9-27-15)10-16(19(20,21)22)25(18)24-11/h3-10H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 389.40 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).