5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine

C11H11ClFN3 — CID 75366011

IUPAC5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCc2c(F)cccc2Cl)[nH]n1
InChIInChI=1S/C11H11ClFN3/c12-9-2-1-3-10(13)8(9)5-4-7-6-11(14)16-15-7/h1-3,6H,4-5H2,(H3,14,15,16)
InChIKeyJTASUOXPIGVTIX-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.57
Rot. Bonds3

About 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine

5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 75366011) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine
PubChem CID75366011
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCc2c(F)cccc2Cl)[nH]n1
InChIInChI=1S/C11H11ClFN3/c12-9-2-1-3-10(13)8(9)5-4-7-6-11(14)16-15-7/h1-3,6H,4-5H2,(H3,14,15,16)
InChIKeyJTASUOXPIGVTIX-UHFFFAOYSA-N
XLogP2.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine (CID 75366011) is 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine is Nc1cc(CCc2c(F)cccc2Cl)[nH]n1.
What is the InChIKey of 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is JTASUOXPIGVTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c12-9-2-1-3-10(13)8(9)5-4-7-6-11(14)16-15-7/h1-3,6H,4-5H2,(H3,14,15,16).
What are the key properties of 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine?
5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 239.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-fluorophenyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 75366011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).