3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C28H32N4O3 — CID 20943364

IUPAC3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4c(C)cc(C)cc4C)cnc23)cc1OCC
InChIInChI=1S/C28H32N4O3/c1-8-34-23-11-10-21(14-24(23)35-9-2)25-19(6)31-32-20(7)22(15-29-27(25)32)28(33)30-26-17(4)12-16(3)13-18(26)5/h10-15H,8-9H2,1-7H3,(H,30,33)
InChIKeyYMSWWSBPYCWHKT-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.99
Rot. Bonds7

About 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 20943364) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID20943364
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4c(C)cc(C)cc4C)cnc23)cc1OCC
InChIInChI=1S/C28H32N4O3/c1-8-34-23-11-10-21(14-24(23)35-9-2)25-19(6)31-32-20(7)22(15-29-27(25)32)28(33)30-26-17(4)12-16(3)13-18(26)5/h10-15H,8-9H2,1-7H3,(H,30,33)
InChIKeyYMSWWSBPYCWHKT-UHFFFAOYSA-N
XLogP5.99
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338255
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943370
3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338319
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943397
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943405
2,7-dimethyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338373
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
2,7-dimethyl-3-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943412
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790751

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 20943364) is 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4c(C)cc(C)cc4C)cnc23)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YMSWWSBPYCWHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-8-34-23-11-10-21(14-24(23)35-9-2)25-19(6)31-32-20(7)22(15-29-27(25)32)28(33)30-26-17(4)12-16(3)13-18(26)5/h10-15H,8-9H2,1-7H3,(H,30,33).
What are the key properties of 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20943364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).