1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

C19H14ClN5O2 — CID 9351055

IUPAC1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C19H14ClN5O2/c20-15-6-4-5-13(9-15)18-14(10-21-25-12-17(26)22-19(25)27)11-24(23-18)16-7-2-1-3-8-16/h1-11H,12H2,(H,22,26,27)/b21-10-
InChIKeyDUBOIJKMXQLFCU-FBHDLOMBSA-N
MW379.81 g/mol
LogP3.08
Rot. Bonds4

About 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9351055) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9351055
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C19H14ClN5O2/c20-15-6-4-5-13(9-15)18-14(10-21-25-12-17(26)22-19(25)27)11-24(23-18)16-7-2-1-3-8-16/h1-11H,12H2,(H,22,26,27)/b21-10-
InChIKeyDUBOIJKMXQLFCU-FBHDLOMBSA-N
XLogP3.08
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 9351336
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
4-amino-N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071101
2-(3-chlorophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 1043473
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014497
4-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295694
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 9216828
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4315391
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
(5Z)-2-(4-chlorophenyl)imino-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
CID 166610900
2-[(5Z)-5-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 57328789

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (CID 9351055) is 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is DUBOIJKMXQLFCU-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-15-6-4-5-13(9-15)18-14(10-21-25-12-17(26)22-19(25)27)11-24(23-18)16-7-2-1-3-8-16/h1-11H,12H2,(H,22,26,27)/b21-10-.
What are the key properties of 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 379.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9351055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).