3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol

C19H22N4O — CID 166594278

IUPAC3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1
InChIInChI=1S/C19H22N4O/c1-2-12-9-13(24)7-8-16(12)21-19-10-18(22-23-19)15-11-20-17-6-4-3-5-14(15)17/h3-9,11,18-24H,2,10H2,1H3
InChIKeyFUSJCIUNVSSWGL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds4

About 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol

3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594278) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594278
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1
InChIInChI=1S/C19H22N4O/c1-2-12-9-13(24)7-8-16(12)21-19-10-18(22-23-19)15-11-20-17-6-4-3-5-14(15)17/h3-9,11,18-24H,2,10H2,1H3
InChIKeyFUSJCIUNVSSWGL-UHFFFAOYSA-N
XLogP3.41
TPSA72.11 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Serotonin
CID 5202
Bufotenine
CID 10257
Serotonin Hydrochloride
CID 160436
Roxindole
CID 219050
N-Methylserotonin
CID 150885
Alpha-Methylserotonin
CID 2107
Npc327132
CID 4048638
Indole, 3-(2-(diethylamino)ethyl)-5-hydroxy-
CID 26395
2-((5-Hydroxy-1H-indol-3-yl)methylene)-n-pentylhydrazinecarboximidamide
CID 135410312
3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol
CID 2438
N,N-Di-n-propylserotonin
CID 169764
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indol-5-ol
CID 44396396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol (CID 166594278) is 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol is CCc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1.
What is the InChIKey of 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is FUSJCIUNVSSWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-12-9-13(24)7-8-16(12)21-19-10-18(22-23-19)15-11-20-17-6-4-3-5-14(15)17/h3-9,11,18-24H,2,10H2,1H3.
What are the key properties of 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol?
3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 322.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).