3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole

C23H25N3O — CID 155211510

IUPAC3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
SMILESCOc1ccccc1-c1cc(C(C)C)nn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O/c1-16(2)21-14-22(19-9-5-7-11-23(19)27-3)26(25-21)13-12-17-15-24-20-10-6-4-8-18(17)20/h4-11,14-16,24H,12-13H2,1-3H3
InChIKeyPEBDKZXUYQZGGE-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.41
Rot. Bonds6

About 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole

3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole (PubChem CID 155211510) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
PubChem CID155211510
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
SMILESCOc1ccccc1-c1cc(C(C)C)nn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O/c1-16(2)21-14-22(19-9-5-7-11-23(19)27-3)26(25-21)13-12-17-15-24-20-10-6-4-8-18(17)20/h4-11,14-16,24H,12-13H2,1-3H3
InChIKeyPEBDKZXUYQZGGE-UHFFFAOYSA-N
XLogP5.41
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
CID 175489562
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972233
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054534
[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
CID 175264524
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole (CID 155211510) is 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole is COc1ccccc1-c1cc(C(C)C)nn1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole?
The InChIKey is PEBDKZXUYQZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16(2)21-14-22(19-9-5-7-11-23(19)27-3)26(25-21)13-12-17-15-24-20-10-6-4-8-18(17)20/h4-11,14-16,24H,12-13H2,1-3H3.
What are the key properties of 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole?
3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole has a molecular weight of 359.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 155211510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).