4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

C21H21FN4O2 — CID 167881081

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1noc(C)c1CCn1c(C)cc(=O)n2nc(C)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H21FN4O2/c1-12-11-19(27)26-21(25(12)10-9-18-13(2)24-28-15(18)4)20(14(3)23-26)16-5-7-17(22)8-6-16/h5-8,11H,9-10H2,1-4H3
InChIKeyNFRVTFNIAPTVIY-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.77
Rot. Bonds4

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 167881081) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID167881081
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1noc(C)c1CCn1c(C)cc(=O)n2nc(C)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H21FN4O2/c1-12-11-19(27)26-21(25(12)10-9-18-13(2)24-28-15(18)4)20(14(3)23-26)16-5-7-17(22)8-6-16/h5-8,11H,9-10H2,1-4H3
InChIKeyNFRVTFNIAPTVIY-UHFFFAOYSA-N
XLogP3.77
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (CID 167881081) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is Cc1noc(C)c1CCn1c(C)cc(=O)n2nc(C)c(-c3ccc(F)cc3)c12.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NFRVTFNIAPTVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-12-11-19(27)26-21(25(12)10-9-18-13(2)24-28-15(18)4)20(14(3)23-26)16-5-7-17(22)8-6-16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 380.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167881081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).