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

C29H23N3O3 — CID 143439433

IUPAC7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3OCc3ccccc3)cc(-c3ccc(C4CC4)cc3)n2n1
InChIInChI=1S/C29H23N3O3/c33-29(34)25-17-28-30-24(23-8-4-5-9-27(23)35-18-19-6-2-1-3-7-19)16-26(32(28)31-25)22-14-12-21(13-15-22)20-10-11-20/h1-9,12-17,20H,10-11,18H2,(H,33,34)
InChIKeyALRAUYJBRRQGDJ-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.22
Rot. Bonds7

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

7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 143439433) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID143439433
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3OCc3ccccc3)cc(-c3ccc(C4CC4)cc3)n2n1
InChIInChI=1S/C29H23N3O3/c33-29(34)25-17-28-30-24(23-8-4-5-9-27(23)35-18-19-6-2-1-3-7-19)16-26(32(28)31-25)22-14-12-21(13-15-22)20-10-11-20/h1-9,12-17,20H,10-11,18H2,(H,33,34)
InChIKeyALRAUYJBRRQGDJ-UHFFFAOYSA-N
XLogP6.22
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)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-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 143439433) is 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3OCc3ccccc3)cc(-c3ccc(C4CC4)cc3)n2n1.
What is the InChIKey of 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ALRAUYJBRRQGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c33-29(34)25-17-28-30-24(23-8-4-5-9-27(23)35-18-19-6-2-1-3-7-19)16-26(32(28)31-25)22-14-12-21(13-15-22)20-10-11-20/h1-9,12-17,20H,10-11,18H2,(H,33,34).
What are the key properties of 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 143439433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).