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

C16H20ClN3 — CID 43254623

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-20-16-4-2-3-15(14(16)11-19-20)18-10-9-12-5-7-13(17)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3
InChIKeyWXLGBPJKIRFGBP-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.28
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254623) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254623
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-20-16-4-2-3-15(14(16)11-19-20)18-10-9-12-5-7-13(17)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3
InChIKeyWXLGBPJKIRFGBP-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356370
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43254623) is N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is WXLGBPJKIRFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20-16-4-2-3-15(14(16)11-19-20)18-10-9-12-5-7-13(17)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 289.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).