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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Related Compounds

3-{(2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
CID 135454363
4-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]piperazin-2-one
CID 2559795
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 5449837
N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 72866770
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 6870252
N'-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]oxamide
CID 6901624
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 16274571
N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]oxamide
CID 2346782
3-[[5-Chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 3572256
3-[[5-Chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3641430
3-[[5-Chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4277076
4-[3-[5-Chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]piperazin-2-one
CID 4881467

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).