4-methoxy-1-(2-pyrazol-1-ylethyl)indole

C14H15N3O — CID 83174518

IUPAC4-methoxy-1-(2-pyrazol-1-ylethyl)indole
SMILESCOc1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C14H15N3O/c1-18-14-5-2-4-13-12(14)6-9-16(13)10-11-17-8-3-7-15-17/h2-9H,10-11H2,1H3
InChIKeyZSYVDCDEQFJAMF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.55
Rot. Bonds4

About 4-methoxy-1-(2-pyrazol-1-ylethyl)indole

4-methoxy-1-(2-pyrazol-1-ylethyl)indole (PubChem CID 83174518) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methoxy-1-(2-pyrazol-1-ylethyl)indole.

Molecular Properties

Compound Name4-methoxy-1-(2-pyrazol-1-ylethyl)indole
PubChem CID83174518
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-methoxy-1-(2-pyrazol-1-ylethyl)indole
SMILESCOc1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C14H15N3O/c1-18-14-5-2-4-13-12(14)6-9-16(13)10-11-17-8-3-7-15-17/h2-9H,10-11H2,1H3
InChIKeyZSYVDCDEQFJAMF-UHFFFAOYSA-N
XLogP2.55
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
1-heptyl-4-methoxyindole
CID 83174164
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
1-[(E)-but-2-enyl]-4-methoxyindole
CID 83173712
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-pyrazol-1-ylethyl)indole?
The IUPAC name of 4-methoxy-1-(2-pyrazol-1-ylethyl)indole (CID 83174518) is 4-methoxy-1-(2-pyrazol-1-ylethyl)indole.
What is the SMILES notation for 4-methoxy-1-(2-pyrazol-1-ylethyl)indole?
The canonical SMILES for 4-methoxy-1-(2-pyrazol-1-ylethyl)indole is COc1cccc2c1ccn2CCn1cccn1.
What is the InChIKey of 4-methoxy-1-(2-pyrazol-1-ylethyl)indole?
The InChIKey is ZSYVDCDEQFJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-14-5-2-4-13-12(14)6-9-16(13)10-11-17-8-3-7-15-17/h2-9H,10-11H2,1H3.
What are the key properties of 4-methoxy-1-(2-pyrazol-1-ylethyl)indole?
4-methoxy-1-(2-pyrazol-1-ylethyl)indole has a molecular weight of 241.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-pyrazol-1-ylethyl)indole is sourced from PubChem (CID 83174518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).