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

C16H20ClN3 — CID 81377325

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESC[C@@H](NC1CCCc2c1cnn2C)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3/t11-,15?/m1/s1
InChIKeySUXBYZYGPJYFQG-ZRKZCGFPSA-N
MW289.81 g/mol
LogP3.80
Rot. Bonds3

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 81377325) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID81377325
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESC[C@@H](NC1CCCc2c1cnn2C)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3/t11-,15?/m1/s1
InChIKeySUXBYZYGPJYFQG-ZRKZCGFPSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
CID 43727389
N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 104652571
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81376952
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466625
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787461

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 81377325) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is C[C@@H](NC1CCCc2c1cnn2C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SUXBYZYGPJYFQG-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 289.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 81377325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).