5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C17H24N6O3 — CID 145108870

IUPAC5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCn1ccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C17H24N6O3/c1-21-7-5-13(20-21)22-8-10-23(11-9-22)14(24)4-6-17(12-2-3-12)15(25)18-16(26)19-17/h5,7,12H,2-4,6,8-11H2,1H3,(H2,18,19,25,26)
InChIKeyGVYGNVIFLLTBON-UHFFFAOYSA-N
MW360.42 g/mol
LogP-0.16
Rot. Bonds5

About 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 145108870) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID145108870
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCn1ccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C17H24N6O3/c1-21-7-5-13(20-21)22-8-10-23(11-9-22)14(24)4-6-17(12-2-3-12)15(25)18-16(26)19-17/h5,7,12H,2-4,6,8-11H2,1H3,(H2,18,19,25,26)
InChIKeyGVYGNVIFLLTBON-UHFFFAOYSA-N
XLogP-0.16
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-[3-[4-[3-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 146266054
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134368735
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
5-cyclopropyl-5-[3-oxo-3-[4-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;ethane
CID 145108931
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437664
5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45171162
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
5-cyclopropyl-5-[3-oxo-3-[4-[3-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]phenyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione;propane
CID 145108962

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 145108870) is 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cn1ccc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)CC2)n1.
What is the InChIKey of 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is GVYGNVIFLLTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21-7-5-13(20-21)22-8-10-23(11-9-22)14(24)4-6-17(12-2-3-12)15(25)18-16(26)19-17/h5,7,12H,2-4,6,8-11H2,1H3,(H2,18,19,25,26).
What are the key properties of 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 145108870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).