ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

C10H16N2O2 — CID 3410253

IUPACethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCCOC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C10H16N2O2/c1-4-14-10(13)6-5-9-7(2)11-12-8(9)3/h4-6H2,1-3H3,(H,11,12)
InChIKeySDSNJTLKLMRQPH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.52
Rot. Bonds4

About ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (PubChem CID 3410253) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
PubChem CID3410253
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCCOC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C10H16N2O2/c1-4-14-10(13)6-5-9-7(2)11-12-8(9)3/h4-6H2,1-3H3,(H,11,12)
InChIKeySDSNJTLKLMRQPH-UHFFFAOYSA-N
XLogP1.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3,5-dimethyl-1H-pyrazol-4-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 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (CID 3410253) is ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is CCOC(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The InChIKey is SDSNJTLKLMRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-14-10(13)6-5-9-7(2)11-12-8(9)3/h4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate has a molecular weight of 196.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 3410253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).