ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate

C11H18N2O2 — CID 139319900

IUPACethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(C(C)(C)CC)n1
InChIInChI=1S/C11H18N2O2/c1-5-11(3,4)13-8-7-9(12-13)10(14)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyUYXOLJOWZQFUOX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds4

About ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate

ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate (PubChem CID 139319900) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate
PubChem CID139319900
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(C(C)(C)CC)n1
InChIInChI=1S/C11H18N2O2/c1-5-11(3,4)13-8-7-9(12-13)10(14)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyUYXOLJOWZQFUOX-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1-methoxy-2-methylpropan-2-yl)pyrazole-3-carboxylic acid
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ethyl 1-(1-cyanoethyl)pyrazole-3-carboxylate
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ethyl 1-tert-butyltriazole-4-carboxylate
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1-(1-carboxy-2-methylpropan-2-yl)pyrazole-3-carboxylic acid
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6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
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ethyl 1-(4-oxocyclohexyl)pyrazole-3-carboxylate
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ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
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ethyl 1-[(3,5-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 175872781
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
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ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate (CID 139319900) is ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate is CCOC(=O)c1ccn(C(C)(C)CC)n1.
What is the InChIKey of ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate?
The InChIKey is UYXOLJOWZQFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-11(3,4)13-8-7-9(12-13)10(14)15-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate?
ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 139319900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).