ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate

C13H20N4O2 — CID 82589008

IUPACethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1cnn2ccn(CCCN(C)C)c12
InChIInChI=1S/C13H20N4O2/c1-4-19-13(18)11-10-14-17-9-8-16(12(11)17)7-5-6-15(2)3/h8-10H,4-7H2,1-3H3
InChIKeyDMURQLPZDHTHCZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.26
Rot. Bonds6

About ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate

ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 82589008) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID82589008
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1cnn2ccn(CCCN(C)C)c12
InChIInChI=1S/C13H20N4O2/c1-4-19-13(18)11-10-14-17-9-8-16(12(11)17)7-5-6-15(2)3/h8-10H,4-7H2,1-3H3
InChIKeyDMURQLPZDHTHCZ-UHFFFAOYSA-N
XLogP1.26
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
CID 114525727
ethyl 1-[(3-cyanophenyl)methyl]imidazo[2,1-e]pyrazole-7-carboxylate
CID 82589020
ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
CID 55173850
1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid
CID 172625364
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 1-methyl-5-[(2-oxo-3-propylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630397
ethyl 1-[3-(dimethylamino)propyl]-5-propyltriazole-4-carboxylate
CID 103106072
ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
CID 155456630
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 5-amino-4-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 146160563
ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 155487137

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate (CID 82589008) is ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate is CCOC(=O)c1cnn2ccn(CCCN(C)C)c12.
What is the InChIKey of ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is DMURQLPZDHTHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-19-13(18)11-10-14-17-9-8-16(12(11)17)7-5-6-15(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate?
ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 82589008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).