5-propoxy-1-(2-pyrazol-1-ylethyl)indole

C16H19N3O — CID 116625600

IUPAC5-propoxy-1-(2-pyrazol-1-ylethyl)indole
SMILESCCCOc1ccc2c(ccn2CCn2cccn2)c1
InChIInChI=1S/C16H19N3O/c1-2-12-20-15-4-5-16-14(13-15)6-9-18(16)10-11-19-8-3-7-17-19/h3-9,13H,2,10-12H2,1H3
InChIKeyOUAPSKQARMMWCM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.33
Rot. Bonds6

About 5-propoxy-1-(2-pyrazol-1-ylethyl)indole

5-propoxy-1-(2-pyrazol-1-ylethyl)indole (PubChem CID 116625600) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-propoxy-1-(2-pyrazol-1-ylethyl)indole.

Molecular Properties

Compound Name5-propoxy-1-(2-pyrazol-1-ylethyl)indole
PubChem CID116625600
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-propoxy-1-(2-pyrazol-1-ylethyl)indole
SMILESCCCOc1ccc2c(ccn2CCn2cccn2)c1
InChIInChI=1S/C16H19N3O/c1-2-12-20-15-4-5-16-14(13-15)6-9-18(16)10-11-19-8-3-7-17-19/h3-9,13H,2,10-12H2,1H3
InChIKeyOUAPSKQARMMWCM-UHFFFAOYSA-N
XLogP3.33
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116625614
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-1-(2-pyrazol-1-ylethyl)indole?
The IUPAC name of 5-propoxy-1-(2-pyrazol-1-ylethyl)indole (CID 116625600) is 5-propoxy-1-(2-pyrazol-1-ylethyl)indole.
What is the SMILES notation for 5-propoxy-1-(2-pyrazol-1-ylethyl)indole?
The canonical SMILES for 5-propoxy-1-(2-pyrazol-1-ylethyl)indole is CCCOc1ccc2c(ccn2CCn2cccn2)c1.
What is the InChIKey of 5-propoxy-1-(2-pyrazol-1-ylethyl)indole?
The InChIKey is OUAPSKQARMMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-12-20-15-4-5-16-14(13-15)6-9-18(16)10-11-19-8-3-7-17-19/h3-9,13H,2,10-12H2,1H3.
What are the key properties of 5-propoxy-1-(2-pyrazol-1-ylethyl)indole?
5-propoxy-1-(2-pyrazol-1-ylethyl)indole has a molecular weight of 269.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-1-(2-pyrazol-1-ylethyl)indole is sourced from PubChem (CID 116625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).