ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate

C20H33N3O3 — CID 46684233

IUPACethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2c(C)nn(CC(C)C)c2C)C1
InChIInChI=1S/C20H33N3O3/c1-6-26-20(25)17-8-7-11-22(13-17)19(24)10-9-18-15(4)21-23(16(18)5)12-14(2)3/h14,17H,6-13H2,1-5H3
InChIKeyGOYNKCWZGQJJNB-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.89
Rot. Bonds7

About ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate

ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 46684233) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate
PubChem CID46684233
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nameethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2c(C)nn(CC(C)C)c2C)C1
InChIInChI=1S/C20H33N3O3/c1-6-26-20(25)17-8-7-11-22(13-17)19(24)10-9-18-15(4)21-23(16(18)5)12-14(2)3/h14,17H,6-13H2,1-5H3
InChIKeyGOYNKCWZGQJJNB-UHFFFAOYSA-N
XLogP2.89
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

4-[[3-(1,3,5-Trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
CID 56808467
4-{3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,3,5-trimethyl-1H-pyrazole
CID 70712324
Methyl 2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiomorpholin-3-yl]acetate
CID 71874626
7-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72863989
7-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72890068
7-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72935780
methyl 3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoate
CID 45841809
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922001
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
3-{(3R*,4S*)-4-morpholin-4-yl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propan-1-ol
CID 72917284

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate (CID 46684233) is ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCc2c(C)nn(CC(C)C)c2C)C1.
What is the InChIKey of ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is GOYNKCWZGQJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-6-26-20(25)17-8-7-11-22(13-17)19(24)10-9-18-15(4)21-23(16(18)5)12-14(2)3/h14,17H,6-13H2,1-5H3.
What are the key properties of ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 46684233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).