3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C27H30N4O5 — CID 46338268

IUPAC3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)cnc23)cc1OCC
InChIInChI=1S/C27H30N4O5/c1-7-35-23-11-9-18(13-24(23)36-8-2)25-16(3)30-31-17(4)20(15-28-26(25)31)27(32)29-21-14-19(33-5)10-12-22(21)34-6/h9-15H,7-8H2,1-6H3,(H,29,32)
InChIKeyOIIQIRCBYTUDJY-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.08
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 46338268) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID46338268
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)cnc23)cc1OCC
InChIInChI=1S/C27H30N4O5/c1-7-35-23-11-9-18(13-24(23)36-8-2)25-16(3)30-31-17(4)20(15-28-26(25)31)27(32)29-21-14-19(33-5)10-12-22(21)34-6/h9-15H,7-8H2,1-6H3,(H,29,32)
InChIKeyOIIQIRCBYTUDJY-UHFFFAOYSA-N
XLogP5.08
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943364
3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338255
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943370
N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865362
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865347
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943405
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865296
N-(2,5-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 135616304
2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 46338268) is 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)cnc23)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OIIQIRCBYTUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-7-35-23-11-9-18(13-24(23)36-8-2)25-16(3)30-31-17(4)20(15-28-26(25)31)27(32)29-21-14-19(33-5)10-12-22(21)34-6/h9-15H,7-8H2,1-6H3,(H,29,32).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).