ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C22H18N4O3 — CID 24969303

IUPACethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccccc4)c3)ccnc12
InChIInChI=1S/C22H18N4O3/c1-2-29-22(28)18-14-24-26-19(11-12-23-20(18)26)16-9-6-10-17(13-16)25-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27)
InChIKeyCJVWYPWUZIQJFP-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.83
Rot. Bonds5

About ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 24969303) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID24969303
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Nameethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccccc4)c3)ccnc12
InChIInChI=1S/C22H18N4O3/c1-2-29-22(28)18-14-24-26-19(11-12-23-20(18)26)16-9-6-10-17(13-16)25-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27)
InChIKeyCJVWYPWUZIQJFP-UHFFFAOYSA-N
XLogP3.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
B-Raf IN 1
CID 24884503
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
Jak3-IN-6
CID 89629876
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 18
CID 134551945
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 24969303) is ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccccc4)c3)ccnc12.
What is the InChIKey of ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CJVWYPWUZIQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-2-29-22(28)18-14-24-26-19(11-12-23-20(18)26)16-9-6-10-17(13-16)25-21(27)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-benzamidophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 24969303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).