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

C14H11F2N5OS — CID 4768579

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C14H11F2N5OS/c15-11(16)10-5-9(7-1-2-7)19-12-8(6-18-21(10)12)13(22)20-14-17-3-4-23-14/h3-7,11H,1-2H2,(H,17,20,22)
InChIKeyFAYUFSUFKJVWKB-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.25
Rot. Bonds4

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

5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4768579) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4768579
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C14H11F2N5OS/c15-11(16)10-5-9(7-1-2-7)19-12-8(6-18-21(10)12)13(22)20-14-17-3-4-23-14/h3-7,11H,1-2H2,(H,17,20,22)
InChIKeyFAYUFSUFKJVWKB-UHFFFAOYSA-N
XLogP3.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.25
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-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4768579) is 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FAYUFSUFKJVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c15-11(16)10-5-9(7-1-2-7)19-12-8(6-18-21(10)12)13(22)20-14-17-3-4-23-14/h3-7,11H,1-2H2,(H,17,20,22).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.25, 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-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4768579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).