methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

C11H14N4O2 — CID 82869496

IUPACmethyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1ccn(C)n1
InChIInChI=1S/C11H14N4O2/c1-8-12-6-10(11(16)17-3)15(8)7-9-4-5-14(2)13-9/h4-6H,7H2,1-3H3
InChIKeyZGDRTAOZOXOQIZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.76
Rot. Bonds3

About methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (PubChem CID 82869496) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
PubChem CID82869496
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1ccn(C)n1
InChIInChI=1S/C11H14N4O2/c1-8-12-6-10(11(16)17-3)15(8)7-9-4-5-14(2)13-9/h4-6H,7H2,1-3H3
InChIKeyZGDRTAOZOXOQIZ-UHFFFAOYSA-N
XLogP0.76
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-cyanopropyl)-2-methylimidazole-4-carboxylate
CID 65172627
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
CID 65171351
methyl 3-[(5-bromothiophen-2-yl)methyl]-2-methylimidazole-4-carboxylate
CID 65171109
methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500
methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
methyl 3-[(3-ethylimidazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 66154538
methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 82866397
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazole-4-carboxylic acid
CID 65173008
methyl 3-[3-(dimethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 65170904
methyl 3-[(3-cyano-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65339391
methyl 2-methyl-3-(4,4,4-trifluorobutyl)imidazole-4-carboxylate
CID 115514376
methyl 3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65172736

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (CID 82869496) is methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is COC(=O)c1cnc(C)n1Cc1ccn(C)n1.
What is the InChIKey of methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The InChIKey is ZGDRTAOZOXOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-12-6-10(11(16)17-3)15(8)7-9-4-5-14(2)13-9/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 82869496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).