1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine

C11H11Cl2N3O — CID 63316122

IUPAC1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-8(7-10(9)13)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyACZQIUXCXQYIIU-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine

1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine (PubChem CID 63316122) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine
PubChem CID63316122
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-8(7-10(9)13)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyACZQIUXCXQYIIU-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine (CID 63316122) is 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine?
The InChIKey is ACZQIUXCXQYIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-2-1-8(7-10(9)13)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15).
What are the key properties of 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine?
1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine has a molecular weight of 272.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).