methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate

C12H17N5O2 — CID 103544795

IUPACmethyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cnn(CC)c1
InChIInChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)8-6-14-16(5-2)7-8/h6-7H,4-5,13H2,1-3H3
InChIKeyJCSSRCRMKWINGT-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.02
Rot. Bonds4

About methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate (PubChem CID 103544795) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
PubChem CID103544795
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Namemethyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cnn(CC)c1
InChIInChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)8-6-14-16(5-2)7-8/h6-7H,4-5,13H2,1-3H3
InChIKeyJCSSRCRMKWINGT-UHFFFAOYSA-N
XLogP1.02
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649031
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 103545401
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate (CID 103544795) is methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1-c1cnn(CC)c1.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate?
The InChIKey is JCSSRCRMKWINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)8-6-14-16(5-2)7-8/h6-7H,4-5,13H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate is sourced from PubChem (CID 103544795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).