5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H14FN5O — CID 11198084

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C17H14FN5O/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13/h3-9,20H,1-2H3
InChIKeyUQXNUNDFGNEPJW-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.88
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11198084) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11198084
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C17H14FN5O/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13/h3-9,20H,1-2H3
InChIKeyUQXNUNDFGNEPJW-UHFFFAOYSA-N
XLogP3.88
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11198084) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UQXNUNDFGNEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13/h3-9,20H,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 323.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11198084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).