methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate

C11H15N5O2 — CID 103544798

IUPACmethyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2c(C)n[nH]c2C)c1N
InChIInChI=1S/C11H15N5O2/c1-5-9(6(2)15-14-5)16-7(3)13-8(10(16)12)11(17)18-4/h12H2,1-4H3,(H,14,15)
InChIKeyCERZEWHJTUGLDY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.89
Rot. Bonds2

About methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate (PubChem CID 103544798) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
PubChem CID103544798
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namemethyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2c(C)n[nH]c2C)c1N
InChIInChI=1S/C11H15N5O2/c1-5-9(6(2)15-14-5)16-7(3)13-8(10(16)12)11(17)18-4/h12H2,1-4H3,(H,14,15)
InChIKeyCERZEWHJTUGLDY-UHFFFAOYSA-N
XLogP0.89
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544590
methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 103544792
methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate
CID 103545147
methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 103545401
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CID 18526038
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-1-(3-fluoro-5-nitrophenyl)-2-methylimidazole-4-carboxylate
CID 107335574

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate (CID 103544798) is methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2c(C)n[nH]c2C)c1N.
What is the InChIKey of methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate?
The InChIKey is CERZEWHJTUGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5-9(6(2)15-14-5)16-7(3)13-8(10(16)12)11(17)18-4/h12H2,1-4H3,(H,14,15).
What are the key properties of methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).