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

C20H13Cl2N3O3 — CID 15957626

IUPAC7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc(C(=O)O)nn23)cc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-28-18-7-4-12(8-14(18)22)17-9-15(11-2-5-13(21)6-3-11)23-19-10-16(20(26)27)24-25(17)19/h2-10H,1H3,(H,26,27)
InChIKeyIKDMTNSIZOKTHD-UHFFFAOYSA-N
MW414.25 g/mol
LogP5.08
Rot. Bonds4

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

7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957626) has the molecular formula C20H13Cl2N3O3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957626
Molecular FormulaC20H13Cl2N3O3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc(C(=O)O)nn23)cc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-28-18-7-4-12(8-14(18)22)17-9-15(11-2-5-13(21)6-3-11)23-19-10-16(20(26)27)24-25(17)19/h2-10H,1H3,(H,26,27)
InChIKeyIKDMTNSIZOKTHD-UHFFFAOYSA-N
XLogP5.08
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.25
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957626) is 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc(C(=O)O)nn23)cc1Cl.
What is the InChIKey of 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is IKDMTNSIZOKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3/c1-28-18-7-4-12(8-14(18)22)17-9-15(11-2-5-13(21)6-3-11)23-19-10-16(20(26)27)24-25(17)19/h2-10H,1H3,(H,26,27).
What are the key properties of 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 414.25 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).