N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide

C12H12Cl2N4O — CID 146345886

IUPACN'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Oc2ccn(C)n2)c(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-7(15)16-8-3-4-9(12(14)11(8)13)19-10-5-6-18(2)17-10/h3-6H,1-2H3,(H2,15,16)
InChIKeyZJZVMPLEAYVRJY-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.53
Rot. Bonds3

About N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide

N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide (PubChem CID 146345886) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide
PubChem CID146345886
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC NameN'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Oc2ccn(C)n2)c(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-7(15)16-8-3-4-9(12(14)11(8)13)19-10-5-6-18(2)17-10/h3-6H,1-2H3,(H2,15,16)
InChIKeyZJZVMPLEAYVRJY-UHFFFAOYSA-N
XLogP3.53
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
CID 67817650
2-Chloro-4-(4-fluoro-1-methylpyrazol-3-yl)oxyaniline
CID 156371189
Tert-butyl 3-(4-amino-2-chloro-3-fluorophenoxy)pyrazole-1-carboxylate
CID 157046997
3-Chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline
CID 166538434
5-Chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline
CID 166539704
3-[2,3-Dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2-methylpyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 175952989
3-Chloro-4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
CID 17950051
3-(2-Chloro-4-aminophenoxymethyl)-1-methylpyrazole
CID 68886652
N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide
CID 146345866
3-[2,3-Dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one
CID 146345867
3-(2,3-Dichloro-4-nitrophenoxy)-1-methylpyrazole
CID 146345869
2,3-Dichloro-4-(1-methylpyrazol-3-yl)oxyaniline
CID 146345870

Frequently Asked Questions

What is the IUPAC name of N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide?
The IUPAC name of N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide (CID 146345886) is N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide.
What is the SMILES notation for N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide?
The canonical SMILES for N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide is C/C(N)=N\c1ccc(Oc2ccn(C)n2)c(Cl)c1Cl.
What is the InChIKey of N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide?
The InChIKey is ZJZVMPLEAYVRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7(15)16-8-3-4-9(12(14)11(8)13)19-10-5-6-18(2)17-10/h3-6H,1-2H3,(H2,15,16).
What are the key properties of N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide?
N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide has a molecular weight of 299.16 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]ethanimidamide is sourced from PubChem (CID 146345886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).