2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C18H25N3O3 — CID 136579125

IUPAC2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCOc1ccc(OC)c(CNC2CCCc3c2cnn3CCO)c1
InChIInChI=1S/C18H25N3O3/c1-23-14-6-7-18(24-2)13(10-14)11-19-16-4-3-5-17-15(16)12-20-21(17)8-9-22/h6-7,10,12,16,19,22H,3-5,8-9,11H2,1-2H3
InChIKeyZGTWZUGWVFVYKH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.06
Rot. Bonds7

About 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 136579125) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID136579125
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCOc1ccc(OC)c(CNC2CCCc3c2cnn3CCO)c1
InChIInChI=1S/C18H25N3O3/c1-23-14-6-7-18(24-2)13(10-14)11-19-16-4-3-5-17-15(16)12-20-21(17)8-9-22/h6-7,10,12,16,19,22H,3-5,8-9,11H2,1-2H3
InChIKeyZGTWZUGWVFVYKH-UHFFFAOYSA-N
XLogP2.06
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

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Related Compounds

4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
(4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778561
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
(4S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778593
(4S)-1-ethyl-N-[(4-methoxy-3-propoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778587
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 136579125) is 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is COc1ccc(OC)c(CNC2CCCc3c2cnn3CCO)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is ZGTWZUGWVFVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-14-6-7-18(24-2)13(10-14)11-19-16-4-3-5-17-15(16)12-20-21(17)8-9-22/h6-7,10,12,16,19,22H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 331.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 136579125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).