2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide

C12H12Cl2N4 — CID 169367599

IUPAC2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide
SMILESCc1cnn(-c2ccc(Cl)cc2/N=C(/N)CCl)c1
InChIInChI=1S/C12H12Cl2N4/c1-8-6-16-18(7-8)11-3-2-9(14)4-10(11)17-12(15)5-13/h2-4,6-7H,5H2,1H3,(H2,15,17)
InChIKeyBUQYCXFTJZHSKM-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.06
Rot. Bonds3

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

2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide (PubChem CID 169367599) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide
PubChem CID169367599
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide
SMILESCc1cnn(-c2ccc(Cl)cc2/N=C(/N)CCl)c1
InChIInChI=1S/C12H12Cl2N4/c1-8-6-16-18(7-8)11-3-2-9(14)4-10(11)17-12(15)5-13/h2-4,6-7H,5H2,1H3,(H2,15,17)
InChIKeyBUQYCXFTJZHSKM-UHFFFAOYSA-N
XLogP3.06
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.06
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'-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanimidamide
CID 169368188
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 62494449
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185
2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
CID 169365881
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-chloro-N'-[5-chloro-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanimidamide
CID 169368179
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
N'-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)ethanimidamide
CID 67954454
2-chloro-N'-(5-chloro-2-pyridin-3-yloxyphenyl)ethanimidamide
CID 169367995
2-chloro-N'-[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]ethanimidamide
CID 169367840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide (CID 169367599) is 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide is Cc1cnn(-c2ccc(Cl)cc2/N=C(/N)CCl)c1.
What is the InChIKey of 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide?
The InChIKey is BUQYCXFTJZHSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-8-6-16-18(7-8)11-3-2-9(14)4-10(11)17-12(15)5-13/h2-4,6-7H,5H2,1H3,(H2,15,17).
What are the key properties of 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide?
2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide has a molecular weight of 283.16 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[5-chloro-2-(4-methylpyrazol-1-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169367599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).