[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine

C14H16FN3 — CID 82593098

IUPAC[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
SMILESNCC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C14H16FN3/c15-12-5-1-2-6-14(12)18-13-7-3-4-10(8-16)11(13)9-17-18/h1-2,5-6,9-10H,3-4,7-8,16H2
InChIKeyDIURLOCIVLEMLM-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.39
Rot. Bonds2

About [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine

[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine (PubChem CID 82593098) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
PubChem CID82593098
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
SMILESNCC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C14H16FN3/c15-12-5-1-2-6-14(12)18-13-7-3-4-10(8-16)11(13)9-17-18/h1-2,5-6,9-10H,3-4,7-8,16H2
InChIKeyDIURLOCIVLEMLM-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592742
1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 155894486
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774
2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
CID 45170420
(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 42525614
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24817868
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine (CID 82593098) is [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine is NCC1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine?
The InChIKey is DIURLOCIVLEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-5-1-2-6-14(12)18-13-7-3-4-10(8-16)11(13)9-17-18/h1-2,5-6,9-10H,3-4,7-8,16H2.
What are the key properties of [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine?
[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine is sourced from PubChem (CID 82593098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).