6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C21H17N3O4 — CID 15957918

IUPAC6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17N3O4/c1-27-15-7-3-13(4-8-15)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H,25,26)
InChIKeyNWSHHPZOKTYPSB-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.78
Rot. Bonds5

About 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15957918) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15957918
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17N3O4/c1-27-15-7-3-13(4-8-15)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H,25,26)
InChIKeyNWSHHPZOKTYPSB-UHFFFAOYSA-N
XLogP3.78
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15957918) is 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccc(-c2cnc3c(C(=O)O)cnn3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NWSHHPZOKTYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-15-7-3-13(4-8-15)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H,25,26).
What are the key properties of 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15957918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).