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

C16H21N3O — CID 164638760

IUPAC2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol
SMILESCn1ncc2c1CCC[C@@H]2NCCc1ccccc1O
InChIInChI=1S/C16H21N3O/c1-19-15-7-4-6-14(13(15)11-18-19)17-10-9-12-5-2-3-8-16(12)20/h2-3,5,8,11,14,17,20H,4,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyTTZDSROJLWLGFW-AWEZNQCLSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds4

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

2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol (PubChem CID 164638760) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol
PubChem CID164638760
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol
SMILESCn1ncc2c1CCC[C@@H]2NCCc1ccccc1O
InChIInChI=1S/C16H21N3O/c1-19-15-7-4-6-14(13(15)11-18-19)17-10-9-12-5-2-3-8-16(12)20/h2-3,5,8,11,14,17,20H,4,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyTTZDSROJLWLGFW-AWEZNQCLSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol?
The IUPAC name of 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol (CID 164638760) is 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol?
The canonical SMILES for 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol is Cn1ncc2c1CCC[C@@H]2NCCc1ccccc1O.
What is the InChIKey of 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol?
The InChIKey is TTZDSROJLWLGFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-15-7-4-6-14(13(15)11-18-19)17-10-9-12-5-2-3-8-16(12)20/h2-3,5,8,11,14,17,20H,4,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol?
2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 164638760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).