2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide

C11H9Cl2FN4 — CID 169368188

IUPAC2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(F)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C11H9Cl2FN4/c12-4-11(15)17-9-3-8(14)1-2-10(9)18-6-7(13)5-16-18/h1-3,5-6H,4H2,(H2,15,17)
InChIKeyFDDWZLFNDJURGP-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide

2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide (PubChem CID 169368188) has the molecular formula C11H9Cl2FN4 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide
PubChem CID169368188
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.13 g/mol
Exact Mass286.02
IUPAC Name2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(F)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C11H9Cl2FN4/c12-4-11(15)17-9-3-8(14)1-2-10(9)18-6-7(13)5-16-18/h1-3,5-6H,4H2,(H2,15,17)
InChIKeyFDDWZLFNDJURGP-UHFFFAOYSA-N
XLogP2.89
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide
CID 169367599
2-[2-(4-chloropyrazol-1-yl)-5-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605207
(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
(E)-3-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]prop-2-enoic acid
CID 54909501
[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methanol
CID 61035650
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
CID 78941313
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
5-amino-2-(4-chloropyrazol-1-yl)benzamide
CID 61311509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide (CID 169368188) is 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide is N/C(CCl)=N/c1cc(F)ccc1-n1cc(Cl)cn1.
What is the InChIKey of 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide?
The InChIKey is FDDWZLFNDJURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4/c12-4-11(15)17-9-3-8(14)1-2-10(9)18-6-7(13)5-16-18/h1-3,5-6H,4H2,(H2,15,17).
What are the key properties of 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide?
2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide has a molecular weight of 287.13 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide is sourced from PubChem (CID 169368188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).