6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C19H14ClN3O — CID 1485553

IUPAC6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cc(-c4cccc(Cl)c4)cnc23)cc1
InChIInChI=1S/C19H14ClN3O/c1-24-17-7-5-13(6-8-17)18-11-22-23-12-15(10-21-19(18)23)14-3-2-4-16(20)9-14/h2-12H,1H3
InChIKeyGFILEMANYRSBIG-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds3

About 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1485553) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1485553
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cc(-c4cccc(Cl)c4)cnc23)cc1
InChIInChI=1S/C19H14ClN3O/c1-24-17-7-5-13(6-8-17)18-11-22-23-12-15(10-21-19(18)23)14-3-2-4-16(20)9-14/h2-12H,1H3
InChIKeyGFILEMANYRSBIG-UHFFFAOYSA-N
XLogP4.73
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 1485553) is 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3cc(-c4cccc(Cl)c4)cnc23)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GFILEMANYRSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-24-17-7-5-13(6-8-17)18-11-22-23-12-15(10-21-19(18)23)14-3-2-4-16(20)9-14/h2-12H,1H3.
What are the key properties of 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 335.79 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1485553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).