ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate

C9H14N2O2 — CID 7017156

IUPACethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1cc(C)cn1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8(3)11-6-7(2)5-10-11/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyCWAYDMJIOQEYTB-MRVPVSSYSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds3

About ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate

ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate (PubChem CID 7017156) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
PubChem CID7017156
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1cc(C)cn1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8(3)11-6-7(2)5-10-11/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyCWAYDMJIOQEYTB-MRVPVSSYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate?
The IUPAC name of ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate (CID 7017156) is ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate is CCOC(=O)[C@@H](C)n1cc(C)cn1.
What is the InChIKey of ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate?
The InChIKey is CWAYDMJIOQEYTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(12)8(3)11-6-7(2)5-10-11/h5-6,8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate?
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate has a molecular weight of 182.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 7017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).