1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione

C20H16N4O3 — CID 8601337

IUPAC1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O
InChIInChI=1S/C20H16N4O3/c1-22-18(25)19(26)23(20(22)27)12-15-13-24(16-10-6-3-7-11-16)21-17(15)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyPGZBJPYNCCXDRG-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.46
Rot. Bonds4

About 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 8601337) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID8601337
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O
InChIInChI=1S/C20H16N4O3/c1-22-18(25)19(26)23(20(22)27)12-15-13-24(16-10-6-3-7-11-16)21-17(15)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyPGZBJPYNCCXDRG-UHFFFAOYSA-N
XLogP2.46
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 24510574
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
(5R,6S)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703185
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 27723530
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 8601337) is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O.
What is the InChIKey of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is PGZBJPYNCCXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-22-18(25)19(26)23(20(22)27)12-15-13-24(16-10-6-3-7-11-16)21-17(15)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 360.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 8601337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).