7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H15F2N5O2 — CID 1094029

IUPAC7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)on4)c3n2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-10-3-5-12(6-4-10)14-8-15(17(20)21)26-18(23-14)13(9-22-26)19(27)24-16-7-11(2)28-25-16/h3-9,17H,1-2H3,(H,24,25,27)
InChIKeyOGKNMSDIMTWQFP-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.19
Rot. Bonds4

About 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1094029) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1094029
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)on4)c3n2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-10-3-5-12(6-4-10)14-8-15(17(20)21)26-18(23-14)13(9-22-26)19(27)24-16-7-11(2)28-25-16/h3-9,17H,1-2H3,(H,24,25,27)
InChIKeyOGKNMSDIMTWQFP-UHFFFAOYSA-N
XLogP4.19
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1094029) is 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)on4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OGKNMSDIMTWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-10-3-5-12(6-4-10)14-8-15(17(20)21)26-18(23-14)13(9-22-26)19(27)24-16-7-11(2)28-25-16/h3-9,17H,1-2H3,(H,24,25,27).
What are the key properties of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1094029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).