(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C8H10N4O2 — CID 96581780

IUPAC(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)NC2=O)cn1
InChIInChI=1S/C8H10N4O2/c1-8(5-3-9-12(2)4-5)6(13)10-7(14)11-8/h3-4H,1-2H3,(H2,10,11,13,14)/t8-/m1/s1
InChIKeyUNVQWERYRXJZJA-MRVPVSSYSA-N
MW194.19 g/mol
LogP-0.53
Rot. Bonds1

About (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 96581780) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID96581780
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)NC2=O)cn1
InChIInChI=1S/C8H10N4O2/c1-8(5-3-9-12(2)4-5)6(13)10-7(14)11-8/h3-4H,1-2H3,(H2,10,11,13,14)/t8-/m1/s1
InChIKeyUNVQWERYRXJZJA-MRVPVSSYSA-N
XLogP-0.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
CID 70910719
3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 116538630
(5R)-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 88974012
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
5-(2,3-dihydrofuro[2,3-b]pyridin-5-yl)-5-methylimidazolidine-2,4-dione
CID 66908004
(5R)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735019
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735018
4-[[4-methyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 132971291
(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 170741326
ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 144913262
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 4962033

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 96581780) is (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is Cn1cc([C@@]2(C)NC(=O)NC2=O)cn1.
What is the InChIKey of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is UNVQWERYRXJZJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-8(5-3-9-12(2)4-5)6(13)10-7(14)11-8/h3-4H,1-2H3,(H2,10,11,13,14)/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 96581780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).