2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

C16H20N4O — CID 64828771

IUPAC2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H20N4O/c21-8-7-20-12-13(10-19-20)9-17-6-5-14-11-18-16-4-2-1-3-15(14)16/h1-4,10-12,17-18,21H,5-9H2
InChIKeyATRHGSMBEQKKIF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds7

About 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64828771) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64828771
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H20N4O/c21-8-7-20-12-13(10-19-20)9-17-6-5-14-11-18-16-4-2-1-3-15(14)16/h1-4,10-12,17-18,21H,5-9H2
InChIKeyATRHGSMBEQKKIF-UHFFFAOYSA-N
XLogP1.69
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775940
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64828771) is 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is ATRHGSMBEQKKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-8-7-20-12-13(10-19-20)9-17-6-5-14-11-18-16-4-2-1-3-15(14)16/h1-4,10-12,17-18,21H,5-9H2.
What are the key properties of 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 284.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64828771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).