5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H15F3N6OS — CID 1457976

IUPAC5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)s1
InChIInChI=1S/C16H15F3N6OS/c1-7(2)14-22-23-15(27-14)21-13(26)10-6-12-20-9(8-3-4-8)5-11(16(17,18)19)25(12)24-10/h5-8H,3-4H2,1-2H3,(H,21,23,26)
InChIKeyUSIJWGVSOCQXLO-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.85
Rot. Bonds4

About 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1457976) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1457976
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC Name5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)s1
InChIInChI=1S/C16H15F3N6OS/c1-7(2)14-22-23-15(27-14)21-13(26)10-6-12-20-9(8-3-4-8)5-11(16(17,18)19)25(12)24-10/h5-8H,3-4H2,1-2H3,(H,21,23,26)
InChIKeyUSIJWGVSOCQXLO-UHFFFAOYSA-N
XLogP3.85
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1457976) is 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)c1nnc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)s1.
What is the InChIKey of 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is USIJWGVSOCQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS/c1-7(2)14-22-23-15(27-14)21-13(26)10-6-12-20-9(8-3-4-8)5-11(16(17,18)19)25(12)24-10/h5-8H,3-4H2,1-2H3,(H,21,23,26).
What are the key properties of 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1457976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).