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

C14H11F4N5OS — CID 19449235

IUPAC5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)sc1C
InChIInChI=1S/C14H11F4N5OS/c1-5-6(2)25-14(19-5)21-13(24)8-4-10-20-7(11(15)16)3-9(12(17)18)23(10)22-8/h3-4,11-12H,1-2H3,(H,19,21,24)
InChIKeyPBHWXSYTTKTYLN-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.93
Rot. Bonds4

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

5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449235) has the molecular formula C14H11F4N5OS and a molecular weight of 373.34 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449235
Molecular FormulaC14H11F4N5OS
Molecular Weight373.34 g/mol
Exact Mass373.06
IUPAC Name5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)sc1C
InChIInChI=1S/C14H11F4N5OS/c1-5-6(2)25-14(19-5)21-13(24)8-4-10-20-7(11(15)16)3-9(12(17)18)23(10)22-8/h3-4,11-12H,1-2H3,(H,19,21,24)
InChIKeyPBHWXSYTTKTYLN-UHFFFAOYSA-N
XLogP3.93
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449235) is 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)sc1C.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PBHWXSYTTKTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N5OS/c1-5-6(2)25-14(19-5)21-13(24)8-4-10-20-7(11(15)16)3-9(12(17)18)23(10)22-8/h3-4,11-12H,1-2H3,(H,19,21,24).
What are the key properties of 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).