3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C13H19N5O2 — CID 95569779

IUPAC3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCn1cc([C@H]2CCCN2CCN2C(=O)CNC2=O)cn1
InChIInChI=1S/C13H19N5O2/c1-16-9-10(7-15-16)11-3-2-4-17(11)5-6-18-12(19)8-14-13(18)20/h7,9,11H,2-6,8H2,1H3,(H,14,20)/t11-/m1/s1
InChIKeyUELKXBSAMFCVAS-LLVKDONJSA-N
MW277.33 g/mol
LogP0.11
Rot. Bonds4

About 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95569779) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID95569779
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCn1cc([C@H]2CCCN2CCN2C(=O)CNC2=O)cn1
InChIInChI=1S/C13H19N5O2/c1-16-9-10(7-15-16)11-3-2-4-17(11)5-6-18-12(19)8-14-13(18)20/h7,9,11H,2-6,8H2,1H3,(H,14,20)/t11-/m1/s1
InChIKeyUELKXBSAMFCVAS-LLVKDONJSA-N
XLogP0.11
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 95569779) is 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is Cn1cc([C@H]2CCCN2CCN2C(=O)CNC2=O)cn1.
What is the InChIKey of 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is UELKXBSAMFCVAS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-16-9-10(7-15-16)11-3-2-4-17(11)5-6-18-12(19)8-14-13(18)20/h7,9,11H,2-6,8H2,1H3,(H,14,20)/t11-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 277.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95569779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).