1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

C14H11ClFN5O2 — CID 45115386

IUPAC1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C=NN1CC(=O)NC1=O
InChIInChI=1S/C14H11ClFN5O2/c1-8-11(6-17-20-7-12(22)18-14(20)23)13(15)21(19-8)10-4-2-9(16)3-5-10/h2-6H,7H2,1H3,(H,18,22,23)
InChIKeyJBHFITNXHWQGHN-UHFFFAOYSA-N
MW335.73 g/mol
LogP1.86
Rot. Bonds3

About 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 45115386) has the molecular formula C14H11ClFN5O2 and a molecular weight of 335.73 g/mol. Its IUPAC name is 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID45115386
Molecular FormulaC14H11ClFN5O2
Molecular Weight335.73 g/mol
Exact Mass335.06
IUPAC Name1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C=NN1CC(=O)NC1=O
InChIInChI=1S/C14H11ClFN5O2/c1-8-11(6-17-20-7-12(22)18-14(20)23)13(15)21(19-8)10-4-2-9(16)3-5-10/h2-6H,7H2,1H3,(H,18,22,23)
InChIKeyJBHFITNXHWQGHN-UHFFFAOYSA-N
XLogP1.86
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione (CID 45115386) is 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NN1CC(=O)NC1=O.
What is the InChIKey of 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is JBHFITNXHWQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O2/c1-8-11(6-17-20-7-12(22)18-14(20)23)13(15)21(19-8)10-4-2-9(16)3-5-10/h2-6H,7H2,1H3,(H,18,22,23).
What are the key properties of 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione?
1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 335.73 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 45115386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).