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

C18H12F3N5O2 — CID 1252002

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C18H12F3N5O2/c1-10-7-15(25-28-10)23-17(27)13-9-16-22-12(11-5-3-2-4-6-11)8-14(18(19,20)21)26(16)24-13/h2-9H,1H3,(H,23,25,27)
InChIKeyLNSBAYHZGHFXMS-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.96
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1252002) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1252002
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C18H12F3N5O2/c1-10-7-15(25-28-10)23-17(27)13-9-16-22-12(11-5-3-2-4-6-11)8-14(18(19,20)21)26(16)24-13/h2-9H,1H3,(H,23,25,27)
InChIKeyLNSBAYHZGHFXMS-UHFFFAOYSA-N
XLogP3.96
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.96
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-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1252002) is N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LNSBAYHZGHFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c1-10-7-15(25-28-10)23-17(27)13-9-16-22-12(11-5-3-2-4-6-11)8-14(18(19,20)21)26(16)24-13/h2-9H,1H3,(H,23,25,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 3.96, 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-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1252002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).