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

C26H19N3O4 — CID 15957585

IUPAC7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3cc(C(=O)O)nn23)cc1
InChIInChI=1S/C26H19N3O4/c1-32-19-11-9-18(10-12-19)24-15-22(27-25-16-23(26(30)31)28-29(24)25)17-7-13-21(14-8-17)33-20-5-3-2-4-6-20/h2-16H,1H3,(H,30,31)
InChIKeyPTLYMSIKQXYOLH-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.56
Rot. Bonds6

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

7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957585) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957585
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3cc(C(=O)O)nn23)cc1
InChIInChI=1S/C26H19N3O4/c1-32-19-11-9-18(10-12-19)24-15-22(27-25-16-23(26(30)31)28-29(24)25)17-7-13-21(14-8-17)33-20-5-3-2-4-6-20/h2-16H,1H3,(H,30,31)
InChIKeyPTLYMSIKQXYOLH-UHFFFAOYSA-N
XLogP5.56
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957903
5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957659
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
7-[3-chloro-4-(iodomethoxy)phenyl]-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439530
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957585) is 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is COc1ccc(-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3cc(C(=O)O)nn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is PTLYMSIKQXYOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-32-19-11-9-18(10-12-19)24-15-22(27-25-16-23(26(30)31)28-29(24)25)17-7-13-21(14-8-17)33-20-5-3-2-4-6-20/h2-16H,1H3,(H,30,31).
What are the key properties of 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 437.46 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).