ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate

C17H24N6O3 — CID 167922821

IUPACethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)N2CCCCC2c2cnn(C)c2)n1
InChIInChI=1S/C17H24N6O3/c1-3-26-16(24)12-22-9-7-15(20-22)19-17(25)23-8-5-4-6-14(23)13-10-18-21(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3,(H,19,20,25)
InChIKeyHEUJCKNLWZDWQQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.94
Rot. Bonds5

About ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate

ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate (PubChem CID 167922821) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate
PubChem CID167922821
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Nameethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)N2CCCCC2c2cnn(C)c2)n1
InChIInChI=1S/C17H24N6O3/c1-3-26-16(24)12-22-9-7-15(20-22)19-17(25)23-8-5-4-6-14(23)13-10-18-21(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3,(H,19,20,25)
InChIKeyHEUJCKNLWZDWQQ-UHFFFAOYSA-N
XLogP1.94
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate 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

N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 154804958
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825085
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 167987280
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
2-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 86888161
2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56824974
N-[1-(2-ethylimidazol-1-yl)propan-2-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167816630
ethyl 2-[4-[[2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 47002038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate (CID 167922821) is ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1ccc(NC(=O)N2CCCCC2c2cnn(C)c2)n1.
What is the InChIKey of ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The InChIKey is HEUJCKNLWZDWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-26-16(24)12-22-9-7-15(20-22)19-17(25)23-8-5-4-6-14(23)13-10-18-21(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3,(H,19,20,25).
What are the key properties of ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate has a molecular weight of 360.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 167922821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).