ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate

C12H16N4O3 — CID 114203701

IUPACethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnn(CCOC)c2)cn1
InChIInChI=1S/C12H16N4O3/c1-3-19-12(17)11-8-15(9-13-11)10-6-14-16(7-10)4-5-18-2/h6-9H,3-5H2,1-2H3
InChIKeyDHUMGPQGYRCVJV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.89
Rot. Bonds6

About ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate

ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate (PubChem CID 114203701) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
PubChem CID114203701
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Nameethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnn(CCOC)c2)cn1
InChIInChI=1S/C12H16N4O3/c1-3-19-12(17)11-8-15(9-13-11)10-6-14-16(7-10)4-5-18-2/h6-9H,3-5H2,1-2H3
InChIKeyDHUMGPQGYRCVJV-UHFFFAOYSA-N
XLogP0.89
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
CID 88893252
CID 88893252
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
ethyl 1-(2-sulfinooxyethyl)triazole-4-carboxylate
CID 139211404
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
CID 68570482
3-amino-4-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione
CID 64571321
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate (CID 114203701) is ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate is CCOC(=O)c1cn(-c2cnn(CCOC)c2)cn1.
What is the InChIKey of ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate?
The InChIKey is DHUMGPQGYRCVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-19-12(17)11-8-15(9-13-11)10-6-14-16(7-10)4-5-18-2/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate?
ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate is sourced from PubChem (CID 114203701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).