7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C21H16ClN3O4 — CID 15957907

IUPAC7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(Cl)c3)n3nc(C(=O)O)cc3n2)c1
InChIInChI=1S/C21H16ClN3O4/c1-28-14-5-3-4-12(8-14)16-10-18(13-6-7-19(29-2)15(22)9-13)25-20(23-16)11-17(24-25)21(26)27/h3-11H,1-2H3,(H,26,27)
InChIKeyRJACAJROWVFECG-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.43
Rot. Bonds5

About 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957907) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957907
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Name7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(Cl)c3)n3nc(C(=O)O)cc3n2)c1
InChIInChI=1S/C21H16ClN3O4/c1-28-14-5-3-4-12(8-14)16-10-18(13-6-7-19(29-2)15(22)9-13)25-20(23-16)11-17(24-25)21(26)27/h3-11H,1-2H3,(H,26,27)
InChIKeyRJACAJROWVFECG-UHFFFAOYSA-N
XLogP4.43
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957907) is 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is COc1cccc(-c2cc(-c3ccc(OC)c(Cl)c3)n3nc(C(=O)O)cc3n2)c1.
What is the InChIKey of 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is RJACAJROWVFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c1-28-14-5-3-4-12(8-14)16-10-18(13-6-7-19(29-2)15(22)9-13)25-20(23-16)11-17(24-25)21(26)27/h3-11H,1-2H3,(H,26,27).
What are the key properties of 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 409.83 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methoxyphenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).