ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate

C15H15N5O2 — CID 59684404

IUPACethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C15H15N5O2/c1-3-22-15(21)12-7-14(13-9-19(2)10-17-13)20(18-12)11-5-4-6-16-8-11/h4-10H,3H2,1-2H3
InChIKeyAABLBHGOYSIWBK-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.84
Rot. Bonds4

About ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate

ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate (PubChem CID 59684404) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
PubChem CID59684404
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)cn2)n(-c2cccnc2)n1
InChIInChI=1S/C15H15N5O2/c1-3-22-15(21)12-7-14(13-9-19(2)10-17-13)20(18-12)11-5-4-6-16-8-11/h4-10H,3H2,1-2H3
InChIKeyAABLBHGOYSIWBK-UHFFFAOYSA-N
XLogP1.84
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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US10273222, Example 46
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate (CID 59684404) is ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cn(C)cn2)n(-c2cccnc2)n1.
What is the InChIKey of ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The InChIKey is AABLBHGOYSIWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-3-22-15(21)12-7-14(13-9-19(2)10-17-13)20(18-12)11-5-4-6-16-8-11/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate?
ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-methylimidazol-4-yl)-1-pyridin-3-ylpyrazole-3-carboxylate is sourced from PubChem (CID 59684404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).