methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate

C12H16N4O2 — CID 65171502

IUPACmethyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
SMILESCCn1cc(Cn2c(C(=O)OC)cnc2C)cn1
InChIInChI=1S/C12H16N4O2/c1-4-15-7-10(5-14-15)8-16-9(2)13-6-11(16)12(17)18-3/h5-7H,4,8H2,1-3H3
InChIKeyGRXUITMCRRAPEB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate

methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate (PubChem CID 65171502) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
PubChem CID65171502
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Namemethyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
SMILESCCn1cc(Cn2c(C(=O)OC)cnc2C)cn1
InChIInChI=1S/C12H16N4O2/c1-4-15-7-10(5-14-15)8-16-9(2)13-6-11(16)12(17)18-3/h5-7H,4,8H2,1-3H3
InChIKeyGRXUITMCRRAPEB-UHFFFAOYSA-N
XLogP1.24
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-ethylimidazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 66154538
methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500
1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172508
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
CID 65171351
methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171310
methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82869496
N-[[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65171777
methyl 3-[(3-cyano-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65339391
methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
CID 65171561
1,4-diethylpyrazole;ethane
CID 143641951
methyl 1-[(1-ethylpyrazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643750

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate (CID 65171502) is methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate is CCn1cc(Cn2c(C(=O)OC)cnc2C)cn1.
What is the InChIKey of methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate?
The InChIKey is GRXUITMCRRAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-15-7-10(5-14-15)8-16-9(2)13-6-11(16)12(17)18-3/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate?
methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 65171502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).