methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate

C12H17N5O2 — CID 103545137

IUPACmethyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1cn[nH]c1C
InChIInChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)6-8-5-14-16-7(8)2/h5H,4,6,13H2,1-3H3,(H,14,16)
InChIKeyMAGUQPYULMOIDC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.89
Rot. Bonds4

About methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate (PubChem CID 103545137) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
PubChem CID103545137
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Namemethyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1cn[nH]c1C
InChIInChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)6-8-5-14-16-7(8)2/h5H,4,6,13H2,1-3H3,(H,14,16)
InChIKeyMAGUQPYULMOIDC-UHFFFAOYSA-N
XLogP0.89
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylimidazole-4-carboxylate
CID 103545352
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate (CID 103545137) is methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1Cc1cn[nH]c1C.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate?
The InChIKey is MAGUQPYULMOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-9-15-10(12(18)19-3)11(13)17(9)6-8-5-14-16-7(8)2/h5H,4,6,13H2,1-3H3,(H,14,16).
What are the key properties of methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).