[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H27N5O5 — CID 7691069

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccnn2C2CCCC2)C1=O
InChIInChI=1S/C19H27N5O5/c1-3-19(4-2)17(27)23(18(28)22-19)11-16(26)29-12-15(25)21-14-9-10-20-24(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyPVHSSMYSSOXCRO-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.59
Rot. Bonds8

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7691069) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7691069
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccnn2C2CCCC2)C1=O
InChIInChI=1S/C19H27N5O5/c1-3-19(4-2)17(27)23(18(28)22-19)11-16(26)29-12-15(25)21-14-9-10-20-24(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyPVHSSMYSSOXCRO-UHFFFAOYSA-N
XLogP1.59
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
[1-Oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16316880
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30183730
methyl (2S)-4-methyl-2-[(3S)-3-[(2-methylpyrazol-3-yl)amino]-2-oxopyrrolidin-1-yl]pentanoate
CID 165384316
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691067
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691068
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821336
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821339
[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821341
[(2R)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821343
[(2S)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821345
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821347

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7691069) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccnn2C2CCCC2)C1=O.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is PVHSSMYSSOXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-3-19(4-2)17(27)23(18(28)22-19)11-16(26)29-12-15(25)21-14-9-10-20-24(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,25)(H,22,28).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 405.46 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7691069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).