3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C20H16ClN3O2 — CID 56922227

IUPAC3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)17-9-10-22-20-16(12-23-24(17)20)13-3-6-15(21)7-4-13/h3-12H,1-2H3
InChIKeyRQWUAYJXGMGIKZ-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.73
Rot. Bonds4

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

3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56922227) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID56922227
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)17-9-10-22-20-16(12-23-24(17)20)13-3-6-15(21)7-4-13/h3-12H,1-2H3
InChIKeyRQWUAYJXGMGIKZ-UHFFFAOYSA-N
XLogP4.73
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 56922227) is 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RQWUAYJXGMGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)17-9-10-22-20-16(12-23-24(17)20)13-3-6-15(21)7-4-13/h3-12H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 365.82 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56922227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).