3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C21H18ClN3O — CID 56738017

IUPAC3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3
InChIKeyODJXFYNBEBMOBU-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.17
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56738017) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID56738017
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3
InChIKeyODJXFYNBEBMOBU-UHFFFAOYSA-N
XLogP5.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 56738017) is 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ODJXFYNBEBMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.85 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56738017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).