5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C25H17N3O3 — CID 15957969

IUPAC5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C25H17N3O3/c29-25(30)22-15-23-26-24(21(16-28(23)27-22)17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H,29,30)
InChIKeyUXAKHXDXJSERFA-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.55
Rot. Bonds5

About 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957969) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957969
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC Name5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C25H17N3O3/c29-25(30)22-15-23-26-24(21(16-28(23)27-22)17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H,29,30)
InChIKeyUXAKHXDXJSERFA-UHFFFAOYSA-N
XLogP5.55
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957969) is 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)cn2n1.
What is the InChIKey of 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is UXAKHXDXJSERFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-25(30)22-15-23-26-24(21(16-28(23)27-22)17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H,29,30).
What are the key properties of 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).