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

C26H18ClN3O3 — CID 15957659

IUPAC5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cccc(Cl)c3)cc(-c3ccc(OCc4ccccc4)cc3)n2n1
InChIInChI=1S/C26H18ClN3O3/c27-20-8-4-7-19(13-20)22-14-24(30-25(28-22)15-23(29-30)26(31)32)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)
InChIKeyJEVMBDCAAXMWQF-UHFFFAOYSA-N
MW455.90 g/mol
LogP5.99
Rot. Bonds6

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

5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957659) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957659
Molecular FormulaC26H18ClN3O3
Molecular Weight455.90 g/mol
Exact Mass455.10
IUPAC Name5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cccc(Cl)c3)cc(-c3ccc(OCc4ccccc4)cc3)n2n1
InChIInChI=1S/C26H18ClN3O3/c27-20-8-4-7-19(13-20)22-14-24(30-25(28-22)15-23(29-30)26(31)32)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)
InChIKeyJEVMBDCAAXMWQF-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

Analyze 5-(3-chlorophenyl)-7-(4-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

Related Compounds

7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957903
7-[3-chloro-4-(iodomethoxy)phenyl]-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439530
5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957588
5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957891
7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439433
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957603
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
1-[(3-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid
CID 25030200
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957659) is 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3cccc(Cl)c3)cc(-c3ccc(OCc4ccccc4)cc3)n2n1.
What is the InChIKey of 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JEVMBDCAAXMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c27-20-8-4-7-19(13-20)22-14-24(30-25(28-22)15-23(29-30)26(31)32)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32).
What are the key properties of 5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(3-chlorophenyl)-7-(4-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-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).