ethyl 2-(3-methylpyrazol-1-yl)acetate

C8H12N2O2 — CID 4578874

IUPACethyl 2-(3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)6-10-5-4-7(2)9-10/h4-5H,3,6H2,1-2H3
InChIKeyPPCZCRHUBFHKQG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.75
Rot. Bonds3

About ethyl 2-(3-methylpyrazol-1-yl)acetate

ethyl 2-(3-methylpyrazol-1-yl)acetate (PubChem CID 4578874) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl 2-(3-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylpyrazol-1-yl)acetate
PubChem CID4578874
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl 2-(3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)6-10-5-4-7(2)9-10/h4-5H,3,6H2,1-2H3
InChIKeyPPCZCRHUBFHKQG-UHFFFAOYSA-N
XLogP0.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methylpyrazol-1-yl)acetate (CID 4578874) is ethyl 2-(3-methylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylpyrazol-1-yl)acetate is CCOC(=O)Cn1ccc(C)n1.
What is the InChIKey of ethyl 2-(3-methylpyrazol-1-yl)acetate?
The InChIKey is PPCZCRHUBFHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8(11)6-10-5-4-7(2)9-10/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methylpyrazol-1-yl)acetate?
ethyl 2-(3-methylpyrazol-1-yl)acetate has a molecular weight of 168.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 4578874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).