2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

C19H26N4O — CID 111467749

IUPAC2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C19H26N4O/c1-13-5-4-6-17-16(11-21-19(13)17)7-8-20-12-18-14(2)22-23(9-10-24)15(18)3/h4-6,11,20-21,24H,7-10,12H2,1-3H3
InChIKeyGROQHDFBGIVLOO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.61
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 111467749) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID111467749
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C19H26N4O/c1-13-5-4-6-17-16(11-21-19(13)17)7-8-20-12-18-14(2)22-23(9-10-24)15(18)3/h4-6,11,20-21,24H,7-10,12H2,1-3H3
InChIKeyGROQHDFBGIVLOO-UHFFFAOYSA-N
XLogP2.61
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 111467749) is 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is GROQHDFBGIVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-5-4-6-17-16(11-21-19(13)17)7-8-20-12-18-14(2)22-23(9-10-24)15(18)3/h4-6,11,20-21,24H,7-10,12H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 326.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 111467749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).