ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate

C9H11N3O2 — CID 82590214

IUPACethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
SMILESCCOC(=O)c1cn2[nH]cc(C)c2n1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)7-5-12-8(11-7)6(2)4-10-12/h4-5,10H,3H2,1-2H3
InChIKeyDNXCTORCUIHEDR-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.15
Rot. Bonds2

About ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate

ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate (PubChem CID 82590214) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
PubChem CID82590214
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
SMILESCCOC(=O)c1cn2[nH]cc(C)c2n1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)7-5-12-8(11-7)6(2)4-10-12/h4-5,10H,3H2,1-2H3
InChIKeyDNXCTORCUIHEDR-UHFFFAOYSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
ethyl 2-sulfanylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
CID 139652055
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 71741988
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 156502979
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721
ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
CID 18183087
ethyl 1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 131421085
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
CID 18525864

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate?
The IUPAC name of ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate (CID 82590214) is ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate?
The canonical SMILES for ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate is CCOC(=O)c1cn2[nH]cc(C)c2n1.
What is the InChIKey of ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate?
The InChIKey is DNXCTORCUIHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-14-9(13)7-5-12-8(11-7)6(2)4-10-12/h4-5,10H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate?
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate is sourced from PubChem (CID 82590214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).