ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

C11H15N5O2 — CID 82874465

IUPACethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccn(C)n2)c1N
InChIInChI=1S/C11H15N5O2/c1-3-18-11(17)9-10(12)16(7-13-9)6-8-4-5-15(2)14-8/h4-5,7H,3,6,12H2,1-2H3
InChIKeyNLZXYCZAONWJED-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.42
Rot. Bonds4

About ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (PubChem CID 82874465) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
PubChem CID82874465
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccn(C)n2)c1N
InChIInChI=1S/C11H15N5O2/c1-3-18-11(17)9-10(12)16(7-13-9)6-8-4-5-15(2)14-8/h4-5,7H,3,6,12H2,1-2H3
InChIKeyNLZXYCZAONWJED-UHFFFAOYSA-N
XLogP0.42
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
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ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
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CID 113494231
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ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824460
ethyl 5-amino-1-(7-methyloctyl)imidazole-4-carboxylate
CID 107817907
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376
ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate
CID 62640430
methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 82866397

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (CID 82874465) is ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(Cc2ccn(C)n2)c1N.
What is the InChIKey of ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The InChIKey is NLZXYCZAONWJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-18-11(17)9-10(12)16(7-13-9)6-8-4-5-15(2)14-8/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 82874465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).