5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13F2N5OS — CID 138016676

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C15H13F2N5OS/c16-13(17)11-5-10(8-1-2-8)21-14-9(6-20-22(11)14)15(23)19-7-12-18-3-4-24-12/h3-6,8,13H,1-2,7H2,(H,19,23)
InChIKeyGQGRWDHHWIWXPD-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.93
Rot. Bonds5

About 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 138016676) has the molecular formula C15H13F2N5OS and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID138016676
Molecular FormulaC15H13F2N5OS
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C15H13F2N5OS/c16-13(17)11-5-10(8-1-2-8)21-14-9(6-20-22(11)14)15(23)19-7-12-18-3-4-24-12/h3-6,8,13H,1-2,7H2,(H,19,23)
InChIKeyGQGRWDHHWIWXPD-UHFFFAOYSA-N
XLogP2.93
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 138016676) is 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GQGRWDHHWIWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5OS/c16-13(17)11-5-10(8-1-2-8)21-14-9(6-20-22(11)14)15(23)19-7-12-18-3-4-24-12/h3-6,8,13H,1-2,7H2,(H,19,23).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 138016676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).