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

C15H13F2N5O2 — CID 1259358

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1
InChIInChI=1S/C15H13F2N5O2/c1-7-4-12(21-24-7)20-15(23)9-6-18-22-11(13(16)17)5-10(8-2-3-8)19-14(9)22/h4-6,8,13H,2-3H2,1H3,(H,20,21,23)
InChIKeyBVNKRAZSJQDZAC-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.09
Rot. Bonds4

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

5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1259358) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1259358
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1
InChIInChI=1S/C15H13F2N5O2/c1-7-4-12(21-24-7)20-15(23)9-6-18-22-11(13(16)17)5-10(8-2-3-8)19-14(9)22/h4-6,8,13H,2-3H2,1H3,(H,20,21,23)
InChIKeyBVNKRAZSJQDZAC-UHFFFAOYSA-N
XLogP3.09
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.09
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-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1259358) is 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BVNKRAZSJQDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-7-4-12(21-24-7)20-15(23)9-6-18-22-11(13(16)17)5-10(8-2-3-8)19-14(9)22/h4-6,8,13H,2-3H2,1H3,(H,20,21,23).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 3.09, 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-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1259358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).