ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate

C13H18N4O3 — CID 50985439

IUPACethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C13H18N4O3/c1-4-20-11(18)7-9(2)15-12(19)10-8-14-17-6-5-16(3)13(10)17/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)
InChIKeyIBDRZOMRBCHQBO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds5

About ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate

ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate (PubChem CID 50985439) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate
PubChem CID50985439
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C13H18N4O3/c1-4-20-11(18)7-9(2)15-12(19)10-8-14-17-6-5-16(3)13(10)17/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)
InChIKeyIBDRZOMRBCHQBO-UHFFFAOYSA-N
XLogP0.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate?
The IUPAC name of ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate (CID 50985439) is ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate is CCOC(=O)CC(C)NC(=O)c1cnn2ccn(C)c12.
What is the InChIKey of ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate?
The InChIKey is IBDRZOMRBCHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-20-11(18)7-9(2)15-12(19)10-8-14-17-6-5-16(3)13(10)17/h5-6,8-9H,4,7H2,1-3H3,(H,15,19).
What are the key properties of ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate?
ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate has a molecular weight of 278.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)amino]butanoate is sourced from PubChem (CID 50985439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).