(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

C16H24N4O2 — CID 86783136

IUPAC(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)[C@@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O
InChIInChI=1S/C16H24N4O2/c1-16(2,3)13-14(21)19(15(22)17-13)10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12-13H,4-7,10H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyMAJFXVLTNZUGRJ-CYBMUJFWSA-N
MW304.39 g/mol
LogP2.46
Rot. Bonds3

About (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 86783136) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID86783136
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)[C@@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O
InChIInChI=1S/C16H24N4O2/c1-16(2,3)13-14(21)19(15(22)17-13)10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12-13H,4-7,10H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyMAJFXVLTNZUGRJ-CYBMUJFWSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
CID 64777103
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64838373
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 86783136) is (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is CC(C)(C)[C@@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O.
What is the InChIKey of (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is MAJFXVLTNZUGRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)13-14(21)19(15(22)17-13)10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12-13H,4-7,10H2,1-3H3,(H,17,22)/t13-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86783136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).