5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

C19H20N4O2 — CID 71924329

IUPAC5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O2/c24-17-19(14-6-7-14,15-8-9-15)21-18(25)22(17)11-13-10-20-23(12-13)16-4-2-1-3-5-16/h1-5,10,12,14-15H,6-9,11H2,(H,21,25)
InChIKeyXWRPNMCZPLESHP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.48
Rot. Bonds5

About 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 71924329) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID71924329
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O2/c24-17-19(14-6-7-14,15-8-9-15)21-18(25)22(17)11-13-10-20-23(12-13)16-4-2-1-3-5-16/h1-5,10,12,14-15H,6-9,11H2,(H,21,25)
InChIKeyXWRPNMCZPLESHP-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium
CID 9321921
5,5-dicyclopropyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60619542
3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 60619510
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
(5R)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 31939405
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210

Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (CID 71924329) is 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XWRPNMCZPLESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17-19(14-6-7-14,15-8-9-15)21-18(25)22(17)11-13-10-20-23(12-13)16-4-2-1-3-5-16/h1-5,10,12,14-15H,6-9,11H2,(H,21,25).
What are the key properties of 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71924329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).