7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H10F3N5OS — CID 4774395

IUPAC7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H10F3N5OS/c18-10-3-1-9(2-4-10)12-7-13(14(19)20)25-15(23-12)11(8-22-25)16(26)24-17-21-5-6-27-17/h1-8,14H,(H,21,24,26)
InChIKeyOZGKWFYHPXDJQA-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.18
Rot. Bonds4

About 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4774395) has the molecular formula C17H10F3N5OS and a molecular weight of 389.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4774395
Molecular FormulaC17H10F3N5OS
Molecular Weight389.36 g/mol
Exact Mass389.06
IUPAC Name7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H10F3N5OS/c18-10-3-1-9(2-4-10)12-7-13(14(19)20)25-15(23-12)11(8-22-25)16(26)24-17-21-5-6-27-17/h1-8,14H,(H,21,24,26)
InChIKeyOZGKWFYHPXDJQA-UHFFFAOYSA-N
XLogP4.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4774395) is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nccs1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OZGKWFYHPXDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5OS/c18-10-3-1-9(2-4-10)12-7-13(14(19)20)25-15(23-12)11(8-22-25)16(26)24-17-21-5-6-27-17/h1-8,14H,(H,21,24,26).
What are the key properties of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4774395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).