N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C16H20FN3 — CID 43254555

IUPACN-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1ccccc1F
InChIInChI=1S/C16H20FN3/c1-20-16-8-4-7-15(13(16)11-19-20)18-10-9-12-5-2-3-6-14(12)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3
InChIKeyWTSWAEZQZCXHNY-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254555) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254555
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1ccccc1F
InChIInChI=1S/C16H20FN3/c1-20-16-8-4-7-15(13(16)11-19-20)18-10-9-12-5-2-3-6-14(12)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3
InChIKeyWTSWAEZQZCXHNY-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060530
N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254623
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690
2-bromo-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 61391448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43254555) is N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is WTSWAEZQZCXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-20-16-8-4-7-15(13(16)11-19-20)18-10-9-12-5-2-3-6-14(12)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 273.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).