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

C19H14F3N5O2 — CID 1113956

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1
InChIInChI=1S/C19H14F3N5O2/c1-10-3-5-12(6-4-10)13-8-15(19(20,21)22)27-17(23-13)9-14(25-27)18(28)24-16-7-11(2)29-26-16/h3-9H,1-2H3,(H,24,26,28)
InChIKeyBPDUUJTVKOVVJK-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.27
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1113956) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1113956
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1
InChIInChI=1S/C19H14F3N5O2/c1-10-3-5-12(6-4-10)13-8-15(19(20,21)22)27-17(23-13)9-14(25-27)18(28)24-16-7-11(2)29-26-16/h3-9H,1-2H3,(H,24,26,28)
InChIKeyBPDUUJTVKOVVJK-UHFFFAOYSA-N
XLogP4.27
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1113956) is N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BPDUUJTVKOVVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-10-3-5-12(6-4-10)13-8-15(19(20,21)22)27-17(23-13)9-14(25-27)18(28)24-16-7-11(2)29-26-16/h3-9H,1-2H3,(H,24,26,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1113956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).