1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C15H17F2N3 — CID 82592584

IUPAC1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCc1nn(-c2ccc(F)cc2F)c2c1C(N)CCC2
InChIInChI=1S/C15H17F2N3/c1-2-12-15-11(18)4-3-5-14(15)20(19-12)13-7-6-9(16)8-10(13)17/h6-8,11H,2-5,18H2,1H3
InChIKeyIOXMOVCGALKFFH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.05
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine

1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592584) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592584
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCc1nn(-c2ccc(F)cc2F)c2c1C(N)CCC2
InChIInChI=1S/C15H17F2N3/c1-2-12-15-11(18)4-3-5-14(15)20(19-12)13-7-6-9(16)8-10(13)17/h6-8,11H,2-5,18H2,1H3
InChIKeyIOXMOVCGALKFFH-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 82592584) is 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCc1nn(-c2ccc(F)cc2F)c2c1C(N)CCC2.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is IOXMOVCGALKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-2-12-15-11(18)4-3-5-14(15)20(19-12)13-7-6-9(16)8-10(13)17/h6-8,11H,2-5,18H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 277.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).