2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide

C13H14Cl2N4 — CID 169368579

IUPAC2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide
SMILESCc1nn(-c2ccc(/N=C(/N)CCl)cc2)c(C)c1Cl
InChIInChI=1S/C13H14Cl2N4/c1-8-13(15)9(2)19(18-8)11-5-3-10(4-6-11)17-12(16)7-14/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyMEHSJNQUJLLMKU-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide

2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide (PubChem CID 169368579) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide
PubChem CID169368579
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide
SMILESCc1nn(-c2ccc(/N=C(/N)CCl)cc2)c(C)c1Cl
InChIInChI=1S/C13H14Cl2N4/c1-8-13(15)9(2)19(18-8)11-5-3-10(4-6-11)17-12(16)7-14/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyMEHSJNQUJLLMKU-UHFFFAOYSA-N
XLogP3.37
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.37
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'}

Analyze 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide
CID 169369764
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370
1-chloro-3-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)anilino]propan-2-ol
CID 168639799
2-chloro-N'-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]ethanimidamide
CID 169366690
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 35281504
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
CID 26179891
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 18074468
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168527719
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502091
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide (CID 169368579) is 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide is Cc1nn(-c2ccc(/N=C(/N)CCl)cc2)c(C)c1Cl.
What is the InChIKey of 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide?
The InChIKey is MEHSJNQUJLLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-8-13(15)9(2)19(18-8)11-5-3-10(4-6-11)17-12(16)7-14/h3-6H,7H2,1-2H3,(H2,16,17).
What are the key properties of 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide?
2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide has a molecular weight of 297.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169368579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).