1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine

C11H11Cl2N3O — CID 62136821

IUPAC1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-3-10(13)11(9)17-5-4-16-7-8(14)6-15-16/h1-3,6-7H,4-5,14H2
InChIKeyMWEFHRBRNNMXEG-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine

1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine (PubChem CID 62136821) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
PubChem CID62136821
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-2-1-3-10(13)11(9)17-5-4-16-7-8(14)6-15-16/h1-3,6-7H,4-5,14H2
InChIKeyMWEFHRBRNNMXEG-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-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine (CID 62136821) is 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine is Nc1cnn(CCOc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine?
The InChIKey is MWEFHRBRNNMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-2-1-3-10(13)11(9)17-5-4-16-7-8(14)6-15-16/h1-3,6-7H,4-5,14H2.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine?
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-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-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62136821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).