1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine

C11H11ClFN3O — CID 82717105

IUPAC1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H11ClFN3O/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)
InChIKeyYPEVOJGRGSZYLS-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine

1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine (PubChem CID 82717105) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine
PubChem CID82717105
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H11ClFN3O/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)
InChIKeyYPEVOJGRGSZYLS-UHFFFAOYSA-N
XLogP2.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine (CID 82717105) is 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine?
The InChIKey is YPEVOJGRGSZYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/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-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine?
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine has a molecular weight of 255.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 82717105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).