(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione

C13H20N4O2 — CID 99776896

IUPAC(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(C)c1CCCN1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C13H20N4O2/c1-8-11(10(3)16(4)15-8)6-5-7-17-12(18)9(2)14-13(17)19/h9H,5-7H2,1-4H3,(H,14,19)/t9-/m0/s1
InChIKeyRQIVJEWINJTLCU-VIFPVBQESA-N
MW264.33 g/mol
LogP0.91
Rot. Bonds4

About (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione

(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione (PubChem CID 99776896) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione
PubChem CID99776896
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(C)c1CCCN1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C13H20N4O2/c1-8-11(10(3)16(4)15-8)6-5-7-17-12(18)9(2)14-13(17)19/h9H,5-7H2,1-4H3,(H,14,19)/t9-/m0/s1
InChIKeyRQIVJEWINJTLCU-VIFPVBQESA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione (CID 99776896) is (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione is Cc1nn(C)c(C)c1CCCN1C(=O)N[C@@H](C)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is RQIVJEWINJTLCU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-11(10(3)16(4)15-8)6-5-7-17-12(18)9(2)14-13(17)19/h9H,5-7H2,1-4H3,(H,14,19)/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione?
(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99776896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).