2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

C16H20ClN3 — CID 82592717

IUPAC2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1cnn2Cc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c17-14-5-1-3-12(9-14)11-20-16-6-2-4-13(7-8-18)15(16)10-19-20/h1,3,5,9-10,13H,2,4,6-8,11,18H2
InChIKeyMQJYYKDNVUOBQB-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (PubChem CID 82592717) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
PubChem CID82592717
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1cnn2Cc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c17-14-5-1-3-12(9-14)11-20-16-6-2-4-13(7-8-18)15(16)10-19-20/h1,3,5,9-10,13H,2,4,6-8,11,18H2
InChIKeyMQJYYKDNVUOBQB-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(aminomethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzonitrile
CID 82593072
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
CID 46962535
2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592742
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46962538
2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356370
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356831
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637344
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (CID 82592717) is 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is NCCC1CCCc2c1cnn2Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The InChIKey is MQJYYKDNVUOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-14-5-1-3-12(9-14)11-20-16-6-2-4-13(7-8-18)15(16)10-19-20/h1,3,5,9-10,13H,2,4,6-8,11,18H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is sourced from PubChem (CID 82592717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).