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

C18H20N4O — CID 166594277

IUPAC4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1
InChIInChI=1S/C18H20N4O/c1-11-8-12(23)6-7-15(11)20-18-9-17(21-22-18)14-10-19-16-5-3-2-4-13(14)16/h2-8,10,17-23H,9H2,1H3
InChIKeyMGNLMLODBJJUNV-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.16
Rot. Bonds3

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

4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol (PubChem CID 166594277) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
PubChem CID166594277
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1
InChIInChI=1S/C18H20N4O/c1-11-8-12(23)6-7-15(11)20-18-9-17(21-22-18)14-10-19-16-5-3-2-4-13(14)16/h2-8,10,17-23H,9H2,1H3
InChIKeyMGNLMLODBJJUNV-UHFFFAOYSA-N
XLogP3.16
TPSA72.11 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.16
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 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol (CID 166594277) is 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol is Cc1cc(O)ccc1NC1CC(c2c[nH]c3ccccc23)NN1.
What is the InChIKey of 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
The InChIKey is MGNLMLODBJJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-8-12(23)6-7-15(11)20-18-9-17(21-22-18)14-10-19-16-5-3-2-4-13(14)16/h2-8,10,17-23H,9H2,1H3.
What are the key properties of 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol?
4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol has a molecular weight of 308.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1H-indol-3-yl)pyrazolidin-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 166594277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).