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

C19H11Cl2N3O2 — CID 15957891

IUPAC5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C19H11Cl2N3O2/c20-12-5-3-4-11(8-12)17-9-15(13-6-1-2-7-14(13)21)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26)
InChIKeyZWVVEQFQFZRMJR-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.07
Rot. Bonds3

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

5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957891) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957891
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C19H11Cl2N3O2/c20-12-5-3-4-11(8-12)17-9-15(13-6-1-2-7-14(13)21)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26)
InChIKeyZWVVEQFQFZRMJR-UHFFFAOYSA-N
XLogP5.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957891) is 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3cccc(Cl)c3)n2n1.
What is the InChIKey of 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ZWVVEQFQFZRMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-12-5-3-4-11(8-12)17-9-15(13-6-1-2-7-14(13)21)22-18-10-16(19(25)26)23-24(17)18/h1-10H,(H,25,26).
What are the key properties of 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 384.22 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).