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

C27H30N4O3 — CID 46338255

IUPAC3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(CC)cc4)cnc23)cc1OCC
InChIInChI=1S/C27H30N4O3/c1-6-19-9-12-21(13-10-19)29-27(32)22-16-28-26-25(17(4)30-31(26)18(22)5)20-11-14-23(33-7-2)24(15-20)34-8-3/h9-16H,6-8H2,1-5H3,(H,29,32)
InChIKeyWUKMHQBGMGFHEJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.63
Rot. Bonds8

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

3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 46338255) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID46338255
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(CC)cc4)cnc23)cc1OCC
InChIInChI=1S/C27H30N4O3/c1-6-19-9-12-21(13-10-19)29-27(32)22-16-28-26-25(17(4)30-31(26)18(22)5)20-11-14-23(33-7-2)24(15-20)34-8-3/h9-16H,6-8H2,1-5H3,(H,29,32)
InChIKeyWUKMHQBGMGFHEJ-UHFFFAOYSA-N
XLogP5.63
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338319
8-(4-bromophenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198142
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
2,7-dimethyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338373
N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943397
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865354
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 46338255) is 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(CC)cc4)cnc23)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WUKMHQBGMGFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-6-19-9-12-21(13-10-19)29-27(32)22-16-28-26-25(17(4)30-31(26)18(22)5)20-11-14-23(33-7-2)24(15-20)34-8-3/h9-16H,6-8H2,1-5H3,(H,29,32).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(4-ethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).