2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine

C10H16FN3 — CID 142262258

IUPAC2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
SMILESNCCn1nc2c(c1CF)CCCC2
InChIInChI=1S/C10H16FN3/c11-7-10-8-3-1-2-4-9(8)13-14(10)6-5-12/h1-7,12H2
InChIKeyHSITVOURGVSKRI-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.19
Rot. Bonds3

About 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine

2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine (PubChem CID 142262258) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
PubChem CID142262258
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
SMILESNCCn1nc2c(c1CF)CCCC2
InChIInChI=1S/C10H16FN3/c11-7-10-8-3-1-2-4-9(8)13-14(10)6-5-12/h1-7,12H2
InChIKeyHSITVOURGVSKRI-UHFFFAOYSA-N
XLogP1.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 788042
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-Cyclopentyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 650832
N-sec-Butyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 3136365
US11028083, Example 21
CID 139456561
3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
N-propyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 2056737
N-(tert-butyl)-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]acetamid e
CID 3136366
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine?
The IUPAC name of 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine (CID 142262258) is 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine is NCCn1nc2c(c1CF)CCCC2.
What is the InChIKey of 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine?
The InChIKey is HSITVOURGVSKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c11-7-10-8-3-1-2-4-9(8)13-14(10)6-5-12/h1-7,12H2.
What are the key properties of 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine?
2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine has a molecular weight of 197.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine is sourced from PubChem (CID 142262258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).