4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol

C17H23N3O — CID 43727389

IUPAC4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCCc3c2cnn3C)c1
InChIInChI=1S/C17H23N3O/c1-11-7-8-17(21)13(9-11)12(2)19-15-5-4-6-16-14(15)10-18-20(16)3/h7-10,12,15,19,21H,4-6H2,1-3H3
InChIKeyLSLPSWBIAQWRQR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds3

About 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol

4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol (PubChem CID 43727389) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
PubChem CID43727389
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCCc3c2cnn3C)c1
InChIInChI=1S/C17H23N3O/c1-11-7-8-17(21)13(9-11)12(2)19-15-5-4-6-16-14(15)10-18-20(16)3/h7-10,12,15,19,21H,4-6H2,1-3H3
InChIKeyLSLPSWBIAQWRQR-UHFFFAOYSA-N
XLogP3.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 63324763
N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81377325
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 104652571
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787461
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81298471
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol (CID 43727389) is 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)NC2CCCc3c2cnn3C)c1.
What is the InChIKey of 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol?
The InChIKey is LSLPSWBIAQWRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-7-8-17(21)13(9-11)12(2)19-15-5-4-6-16-14(15)10-18-20(16)3/h7-10,12,15,19,21H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol?
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 43727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).