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

C15H18N4O3 — CID 14690582

IUPACethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(/C=C/N(C)C)c(C(C)=O)cnc12
InChIInChI=1S/C15H18N4O3/c1-5-22-15(21)12-9-17-19-13(6-7-18(3)4)11(10(2)20)8-16-14(12)19/h6-9H,5H2,1-4H3/b7-6+
InChIKeyRMBJJLHPBOPXTM-VOTSOKGWSA-N
MW302.33 g/mol
LogP1.64
Rot. Bonds5

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

ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 14690582) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID14690582
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(/C=C/N(C)C)c(C(C)=O)cnc12
InChIInChI=1S/C15H18N4O3/c1-5-22-15(21)12-9-17-19-13(6-7-18(3)4)11(10(2)20)8-16-14(12)19/h6-9H,5H2,1-4H3/b7-6+
InChIKeyRMBJJLHPBOPXTM-VOTSOKGWSA-N
XLogP1.64
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10449670
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 25251790
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508
3-O-ethyl 6-O-methyl 7-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
CID 67540411
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
3-O-ethyl 6-O-methyl 7-(3-fluoro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
CID 67540360
ethyl 7-methyl-5-[(E)-3-oxobut-1-enyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822148
ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4777079
ethyl 7-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 50743685

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 14690582) is ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(/C=C/N(C)C)c(C(C)=O)cnc12.
What is the InChIKey of ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RMBJJLHPBOPXTM-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-5-22-15(21)12-9-17-19-13(6-7-18(3)4)11(10(2)20)8-16-14(12)19/h6-9H,5H2,1-4H3/b7-6+.
What are the key properties of ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 14690582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).