5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine

C20H15F2N3O — CID 3778593

IUPAC5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3c(-c4ccc(F)cc4)cnn3cc2C)cc1F
InChIInChI=1S/C20H15F2N3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3
InChIKeyRJWCZBUEDNDZOK-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.66
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine

5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 3778593) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
PubChem CID3778593
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3c(-c4ccc(F)cc4)cnn3cc2C)cc1F
InChIInChI=1S/C20H15F2N3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3
InChIKeyRJWCZBUEDNDZOK-UHFFFAOYSA-N
XLogP4.66
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine (CID 3778593) is 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nc3c(-c4ccc(F)cc4)cnn3cc2C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RJWCZBUEDNDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 351.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3778593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).