ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate

C12H20N2O2 — CID 82693116

IUPACethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(CC)cc1CC
InChIInChI=1S/C12H20N2O2/c1-4-10-9-11(5-2)14(13-10)8-7-12(15)16-6-3/h9H,4-8H2,1-3H3
InChIKeyCSPCCZYPVMVNHG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.96
Rot. Bonds6

About ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate

ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate (PubChem CID 82693116) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
PubChem CID82693116
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(CC)cc1CC
InChIInChI=1S/C12H20N2O2/c1-4-10-9-11(5-2)14(13-10)8-7-12(15)16-6-3/h9H,4-8H2,1-3H3
InChIKeyCSPCCZYPVMVNHG-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 82699023
3,5-diethyl-1-propylpyrazole
CID 82699697
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
CID 82695391
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
CID 82695361
ethyl 3-(1,2,4-triazol-4-yl)propanoate
CID 101010858
5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 82699513
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate?
The IUPAC name of ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate (CID 82693116) is ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate is CCOC(=O)CCn1nc(CC)cc1CC.
What is the InChIKey of ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate?
The InChIKey is CSPCCZYPVMVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-10-9-11(5-2)14(13-10)8-7-12(15)16-6-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate?
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate has a molecular weight of 224.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 82693116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).