[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone

C18H19ClF2N4O2 — CID 123748402

IUPAC[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
SMILESCON/C(=C1/CCCN1C(=O)c1cn(C)nc1C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2N4O2/c1-24-10-13(16(22-24)17(20)21)18(26)25-9-3-4-14(25)15(23-27-2)11-5-7-12(19)8-6-11/h5-8,10,17,23H,3-4,9H2,1-2H3/b15-14-
InChIKeyRWRHVTILTKRPCX-PFONDFGASA-N
MW396.83 g/mol
LogP3.77
Rot. Bonds5

About [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone

[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone (PubChem CID 123748402) has the molecular formula C18H19ClF2N4O2 and a molecular weight of 396.83 g/mol. Its IUPAC name is [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
PubChem CID123748402
Molecular FormulaC18H19ClF2N4O2
Molecular Weight396.83 g/mol
Exact Mass396.12
IUPAC Name[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
SMILESCON/C(=C1/CCCN1C(=O)c1cn(C)nc1C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2N4O2/c1-24-10-13(16(22-24)17(20)21)18(26)25-9-3-4-14(25)15(23-27-2)11-5-7-12(19)8-6-11/h5-8,10,17,23H,3-4,9H2,1-2H3/b15-14-
InChIKeyRWRHVTILTKRPCX-PFONDFGASA-N
XLogP3.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone?
The IUPAC name of [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone (CID 123748402) is [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone?
The canonical SMILES for [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone is CON/C(=C1/CCCN1C(=O)c1cn(C)nc1C(F)F)c1ccc(Cl)cc1.
What is the InChIKey of [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone?
The InChIKey is RWRHVTILTKRPCX-PFONDFGASA-N. The full InChI is InChI=1S/C18H19ClF2N4O2/c1-24-10-13(16(22-24)17(20)21)18(26)25-9-3-4-14(25)15(23-27-2)11-5-7-12(19)8-6-11/h5-8,10,17,23H,3-4,9H2,1-2H3/b15-14-.
What are the key properties of [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone?
[(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone has a molecular weight of 396.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(4-chlorophenyl)-(methoxyamino)methylidene]pyrrolidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 123748402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).