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

C15H13F2N5OS — CID 4771111

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)s1
InChIInChI=1S/C15H13F2N5OS/c1-7-5-18-15(24-7)21-14(23)9-6-19-22-11(12(16)17)4-10(8-2-3-8)20-13(9)22/h4-6,8,12H,2-3H2,1H3,(H,18,21,23)
InChIKeyGWUFOHGBCJUJQD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.56
Rot. Bonds4

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

5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4771111) has the molecular formula C15H13F2N5OS and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4771111
Molecular FormulaC15H13F2N5OS
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)s1
InChIInChI=1S/C15H13F2N5OS/c1-7-5-18-15(24-7)21-14(23)9-6-19-22-11(12(16)17)4-10(8-2-3-8)20-13(9)22/h4-6,8,12H,2-3H2,1H3,(H,18,21,23)
InChIKeyGWUFOHGBCJUJQD-UHFFFAOYSA-N
XLogP3.56
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.56
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-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4771111) is 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)s1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GWUFOHGBCJUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5OS/c1-7-5-18-15(24-7)21-14(23)9-6-19-22-11(12(16)17)4-10(8-2-3-8)20-13(9)22/h4-6,8,12H,2-3H2,1H3,(H,18,21,23).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.56, 4 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-(5-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4771111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).