1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione

C21H20N6O3 — CID 9043143

IUPAC1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1c(Nc2ccc(/C=N\N3CC(=O)NC3=O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H20N6O3/c1-14-19(20(29)27(25(14)2)17-6-4-3-5-7-17)23-16-10-8-15(9-11-16)12-22-26-13-18(28)24-21(26)30/h3-12,23H,13H2,1-2H3,(H,24,28,30)/b22-12-
InChIKeyJZVDHWOMNIJSME-UUYOSTAYSA-N
MW404.43 g/mol
LogP2.11
Rot. Bonds5

About 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9043143) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9043143
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1c(Nc2ccc(/C=N\N3CC(=O)NC3=O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H20N6O3/c1-14-19(20(29)27(25(14)2)17-6-4-3-5-7-17)23-16-10-8-15(9-11-16)12-22-26-13-18(28)24-21(26)30/h3-12,23H,13H2,1-2H3,(H,24,28,30)/b22-12-
InChIKeyJZVDHWOMNIJSME-UUYOSTAYSA-N
XLogP2.11
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 175754430
CID 175754430
1-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
CID 5451516
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 9350659
4-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4993269
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CID 6870089
4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58969767
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 1180673
4-[[3-(3,4-dichloroanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23824939
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
CID 102219110
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 1191642
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione (CID 9043143) is 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione is Cc1c(Nc2ccc(/C=N\N3CC(=O)NC3=O)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is JZVDHWOMNIJSME-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-14-19(20(29)27(25(14)2)17-6-4-3-5-7-17)23-16-10-8-15(9-11-16)12-22-26-13-18(28)24-21(26)30/h3-12,23H,13H2,1-2H3,(H,24,28,30)/b22-12-.
What are the key properties of 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 404.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9043143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).