ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate

C10H12N2O4 — CID 178070198

IUPACethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(CC2OC=CO2)n1
InChIInChI=1S/C10H12N2O4/c1-2-14-10(13)8-3-4-12(11-8)7-9-15-5-6-16-9/h3-6,9H,2,7H2,1H3
InChIKeyJBZOHJHQOWILSF-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.90
Rot. Bonds4

About ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate

ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate (PubChem CID 178070198) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
PubChem CID178070198
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(CC2OC=CO2)n1
InChIInChI=1S/C10H12N2O4/c1-2-14-10(13)8-3-4-12(11-8)7-9-15-5-6-16-9/h3-6,9H,2,7H2,1H3
InChIKeyJBZOHJHQOWILSF-UHFFFAOYSA-N
XLogP0.90
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate
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ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
CID 58083572
ethyl 1-(4-oxocyclohexyl)pyrazole-3-carboxylate
CID 134414493
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
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ethyl 1-(1-cyanoethyl)pyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate (CID 178070198) is ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate is CCOC(=O)c1ccn(CC2OC=CO2)n1.
What is the InChIKey of ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate?
The InChIKey is JBZOHJHQOWILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-14-10(13)8-3-4-12(11-8)7-9-15-5-6-16-9/h3-6,9H,2,7H2,1H3.
What are the key properties of ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate?
ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 178070198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).