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

C26H18ClN3O3 — CID 15957588

IUPAC5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3OCc3ccccc3)n2n1
InChIInChI=1S/C26H18ClN3O3/c27-19-12-10-18(11-13-19)21-14-23(30-25(28-21)15-22(29-30)26(31)32)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,31,32)
InChIKeyWRISWPSQYYMVDW-UHFFFAOYSA-N
MW455.90 g/mol
LogP5.99
Rot. Bonds6

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

5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957588) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957588
Molecular FormulaC26H18ClN3O3
Molecular Weight455.90 g/mol
Exact Mass455.10
IUPAC Name5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3OCc3ccccc3)n2n1
InChIInChI=1S/C26H18ClN3O3/c27-19-12-10-18(11-13-19)21-14-23(30-25(28-21)15-22(29-30)26(31)32)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,31,32)
InChIKeyWRISWPSQYYMVDW-UHFFFAOYSA-N
XLogP5.99
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957588) is 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3OCc3ccccc3)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is WRISWPSQYYMVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c27-19-12-10-18(11-13-19)21-14-23(30-25(28-21)15-22(29-30)26(31)32)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,31,32).
What are the key properties of 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 455.90 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).