ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C22H26N4O3 — CID 25251790

IUPACethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/N(C)C
InChIInChI=1S/C22H26N4O3/c1-6-18-20(15-8-10-16(28-5)11-9-15)21-23-14-17(22(27)29-7-2)19(26(21)24-18)12-13-25(3)4/h8-14H,6-7H2,1-5H3/b13-12+
InChIKeyBLODXTDBPYAPSI-OUKQBFOZSA-N
MW394.48 g/mol
LogP3.68
Rot. Bonds7

About ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 25251790) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID25251790
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/N(C)C
InChIInChI=1S/C22H26N4O3/c1-6-18-20(15-8-10-16(28-5)11-9-15)21-23-14-17(22(27)29-7-2)19(26(21)24-18)12-13-25(3)4/h8-14H,6-7H2,1-5H3/b13-12+
InChIKeyBLODXTDBPYAPSI-OUKQBFOZSA-N
XLogP3.68
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10449670
ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 14690582
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979552
4-ethyl-5-(4-methoxyphenyl)-11-(1,3-thiazol-2-yl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 42582676
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865354
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 25251790) is ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/N(C)C.
What is the InChIKey of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BLODXTDBPYAPSI-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-6-18-20(15-8-10-16(28-5)11-9-15)21-23-14-17(22(27)29-7-2)19(26(21)24-18)12-13-25(3)4/h8-14H,6-7H2,1-5H3/b13-12+.
What are the key properties of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 25251790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).