1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine

C11H11F2N3 — CID 16781787

IUPAC1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
SMILESNC(Cn1cccn1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c12-8-3-1-4-9(13)11(8)10(14)7-16-6-2-5-15-16/h1-6,10H,7,14H2
InChIKeyKAODRJZERBRILV-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.86
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine

1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine (PubChem CID 16781787) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
PubChem CID16781787
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
SMILESNC(Cn1cccn1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c12-8-3-1-4-9(13)11(8)10(14)7-16-6-2-5-15-16/h1-6,10H,7,14H2
InChIKeyKAODRJZERBRILV-UHFFFAOYSA-N
XLogP1.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine (CID 16781787) is 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine is NC(Cn1cccn1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine?
The InChIKey is KAODRJZERBRILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-8-3-1-4-9(13)11(8)10(14)7-16-6-2-5-15-16/h1-6,10H,7,14H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine?
1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine has a molecular weight of 223.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 16781787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).