(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride

C11H6Cl2F3N3O — CID 139231082

IUPAC(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
SMILESO/N=C(\Cl)c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C11H6Cl2F3N3O/c12-9(18-20)7-8(11(14,15)16)17-19(10(7)13)6-4-2-1-3-5-6/h1-5,20H/b18-9-
InChIKeyYPVUUJXBMUBGPV-NVMNQCDNSA-N
MW324.09 g/mol
LogP3.92
Rot. Bonds2

About (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride

(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride (PubChem CID 139231082) has the molecular formula C11H6Cl2F3N3O and a molecular weight of 324.09 g/mol. Its IUPAC name is (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride.

Molecular Properties

Compound Name(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
PubChem CID139231082
Molecular FormulaC11H6Cl2F3N3O
Molecular Weight324.09 g/mol
Exact Mass322.98
IUPAC Name(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
SMILESO/N=C(\Cl)c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C11H6Cl2F3N3O/c12-9(18-20)7-8(11(14,15)16)17-19(10(7)13)6-4-2-1-3-5-6/h1-5,20H/b18-9-
InChIKeyYPVUUJXBMUBGPV-NVMNQCDNSA-N
XLogP3.92
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride 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 (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride?
The IUPAC name of (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride (CID 139231082) is (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride.
What is the SMILES notation for (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride?
The canonical SMILES for (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride is O/N=C(\Cl)c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl.
What is the InChIKey of (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride?
The InChIKey is YPVUUJXBMUBGPV-NVMNQCDNSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O/c12-9(18-20)7-8(11(14,15)16)17-19(10(7)13)6-4-2-1-3-5-6/h1-5,20H/b18-9-.
What are the key properties of (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride?
(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride has a molecular weight of 324.09 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride is sourced from PubChem (CID 139231082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).