N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide

C11H10Cl2N4O — CID 146345866

IUPACN'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Oc2ccn[nH]2)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6(14)16-7-2-3-8(11(13)10(7)12)18-9-4-5-15-17-9/h2-5H,1H3,(H2,14,16)(H,15,17)
InChIKeyJOSLOIJVWFREMN-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.52
Rot. Bonds3

About N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide

N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide (PubChem CID 146345866) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide
PubChem CID146345866
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC NameN'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Oc2ccn[nH]2)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6(14)16-7-2-3-8(11(13)10(7)12)18-9-4-5-15-17-9/h2-5H,1H3,(H2,14,16)(H,15,17)
InChIKeyJOSLOIJVWFREMN-UHFFFAOYSA-N
XLogP3.52
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide?
The IUPAC name of N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide (CID 146345866) is N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide?
The canonical SMILES for N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide is C/C(N)=N\c1ccc(Oc2ccn[nH]2)c(Cl)c1Cl.
What is the InChIKey of N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide?
The InChIKey is JOSLOIJVWFREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6(14)16-7-2-3-8(11(13)10(7)12)18-9-4-5-15-17-9/h2-5H,1H3,(H2,14,16)(H,15,17).
What are the key properties of N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide?
N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide has a molecular weight of 285.13 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]ethanimidamide is sourced from PubChem (CID 146345866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).