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

C20H16ClN3O2 — CID 3701632

IUPAC5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3ccc(-c4ccc(Cl)cc4)nc23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)16-12-22-24-10-9-17(23-20(16)24)13-3-6-15(21)7-4-13/h3-12H,1-2H3
InChIKeyCMJUKYXFUHPSPN-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.73
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3701632) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3701632
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3ccc(-c4ccc(Cl)cc4)nc23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)16-12-22-24-10-9-17(23-20(16)24)13-3-6-15(21)7-4-13/h3-12H,1-2H3
InChIKeyCMJUKYXFUHPSPN-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 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 3701632) is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3ccc(-c4ccc(Cl)cc4)nc23)cc1OC.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CMJUKYXFUHPSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-25-18-8-5-14(11-19(18)26-2)16-12-22-24-10-9-17(23-20(16)24)13-3-6-15(21)7-4-13/h3-12H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-3-(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 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3701632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).