ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate

C17H19N3O2 — CID 71173992

IUPACethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC)ccn2c1-c1cnn(C)c1
InChIInChI=1S/C17H19N3O2/c1-4-12-6-7-20-14(8-12)9-15(17(21)22-5-2)16(20)13-10-18-19(3)11-13/h6-11H,4-5H2,1-3H3
InChIKeyLZIXTTIUVQESQQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.08
Rot. Bonds4

About ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate

ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate (PubChem CID 71173992) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate
PubChem CID71173992
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC)ccn2c1-c1cnn(C)c1
InChIInChI=1S/C17H19N3O2/c1-4-12-6-7-20-14(8-12)9-15(17(21)22-5-2)16(20)13-10-18-19(3)11-13/h6-11H,4-5H2,1-3H3
InChIKeyLZIXTTIUVQESQQ-UHFFFAOYSA-N
XLogP3.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid
CID 123877077
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
CID 133411663
ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate
CID 67036529
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 1-(3-fluoropropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate
CID 103115320
ethyl 3-(6-methoxy-3-pyridinyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67036541
ethyl 3-quinolin-3-yl-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67036522
ethyl 3-(2-methyl-4-pyridinyl)-7-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67036454
ethyl 1-(1-amino-1-oxopropan-2-yl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate
CID 103115318
ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate
CID 118573149

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate?
The IUPAC name of ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate (CID 71173992) is ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate is CCOC(=O)c1cc2cc(CC)ccn2c1-c1cnn(C)c1.
What is the InChIKey of ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate?
The InChIKey is LZIXTTIUVQESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-12-6-7-20-14(8-12)9-15(17(21)22-5-2)16(20)13-10-18-19(3)11-13/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate?
ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate is sourced from PubChem (CID 71173992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).