3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C21H18ClN3O — CID 66498492

IUPAC3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccccc3OC)ccnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O/c1-3-17-20(14-7-6-8-15(22)13-14)21-23-12-11-18(25(21)24-17)16-9-4-5-10-19(16)26-2/h4-13H,3H2,1-2H3
InChIKeyRHDUSWZDDWVMAV-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.29
Rot. Bonds4

About 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 66498492) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID66498492
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccccc3OC)ccnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O/c1-3-17-20(14-7-6-8-15(22)13-14)21-23-12-11-18(25(21)24-17)16-9-4-5-10-19(16)26-2/h4-13H,3H2,1-2H3
InChIKeyRHDUSWZDDWVMAV-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 66498492) is 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3ccccc3OC)ccnc2c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RHDUSWZDDWVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-3-17-20(14-7-6-8-15(22)13-14)21-23-12-11-18(25(21)24-17)16-9-4-5-10-19(16)26-2/h4-13H,3H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.85 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).