ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate

C12H16N4O2 — CID 90351376

IUPACethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1
InChIInChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10/h5-7H,4,8H2,1-3H3
InChIKeyAPIIJBGIWYIJBR-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.15
Rot. Bonds4

About ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate

ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate (PubChem CID 90351376) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
PubChem CID90351376
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1
InChIInChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10/h5-7H,4,8H2,1-3H3
InChIKeyAPIIJBGIWYIJBR-UHFFFAOYSA-N
XLogP1.15
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate (CID 90351376) is ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1.
What is the InChIKey of ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is APIIJBGIWYIJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate?
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 90351376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).