ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate

C10H15BrN2O2 — CID 118690595

IUPACethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C10H15BrN2O2/c1-5-15-9(14)10(2,3)7-6-8(11)12-13(7)4/h6H,5H2,1-4H3
InChIKeyIFRFPLJPWQJNSA-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate

ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate (PubChem CID 118690595) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate
PubChem CID118690595
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Nameethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C10H15BrN2O2/c1-5-15-9(14)10(2,3)7-6-8(11)12-13(7)4/h6H,5H2,1-4H3
InChIKeyIFRFPLJPWQJNSA-UHFFFAOYSA-N
XLogP2.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate (CID 118690595) is ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1cc(Br)nn1C.
What is the InChIKey of ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate?
The InChIKey is IFRFPLJPWQJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-5-15-9(14)10(2,3)7-6-8(11)12-13(7)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate?
ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate has a molecular weight of 275.15 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate is sourced from PubChem (CID 118690595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).