ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate

C9H14N2O2 — CID 4712180

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)6-11-8(3)5-7(2)10-11/h5H,4,6H2,1-3H3
InChIKeyAVJPOBCTDBPIGK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.06
Rot. Bonds3

About ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate

ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 4712180) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)acetate
PubChem CID4712180
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)6-11-8(3)5-7(2)10-11/h5H,4,6H2,1-3H3
InChIKeyAVJPOBCTDBPIGK-UHFFFAOYSA-N
XLogP1.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate (CID 4712180) is ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C)cc1C.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is AVJPOBCTDBPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(12)6-11-8(3)5-7(2)10-11/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 182.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 4712180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).