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

C13H12FN3 — CID 82794921

IUPAC4-fluoro-1-(2-pyrazol-1-ylethyl)indole
SMILESFc1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C13H12FN3/c14-12-3-1-4-13-11(12)5-8-16(13)9-10-17-7-2-6-15-17/h1-8H,9-10H2
InChIKeyXECIBCIQFKTKSG-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.68
Rot. Bonds3

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

4-fluoro-1-(2-pyrazol-1-ylethyl)indole (PubChem CID 82794921) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-fluoro-1-(2-pyrazol-1-ylethyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(2-pyrazol-1-ylethyl)indole
PubChem CID82794921
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name4-fluoro-1-(2-pyrazol-1-ylethyl)indole
SMILESFc1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C13H12FN3/c14-12-3-1-4-13-11(12)5-8-16(13)9-10-17-7-2-6-15-17/h1-8H,9-10H2
InChIKeyXECIBCIQFKTKSG-UHFFFAOYSA-N
XLogP2.68
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
4-fluoro-1-[2-(trifluoromethoxy)ethyl]indole
CID 82793770
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-pyrazol-1-ylethyl)indole?
The IUPAC name of 4-fluoro-1-(2-pyrazol-1-ylethyl)indole (CID 82794921) is 4-fluoro-1-(2-pyrazol-1-ylethyl)indole.
What is the SMILES notation for 4-fluoro-1-(2-pyrazol-1-ylethyl)indole?
The canonical SMILES for 4-fluoro-1-(2-pyrazol-1-ylethyl)indole is Fc1cccc2c1ccn2CCn1cccn1.
What is the InChIKey of 4-fluoro-1-(2-pyrazol-1-ylethyl)indole?
The InChIKey is XECIBCIQFKTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-12-3-1-4-13-11(12)5-8-16(13)9-10-17-7-2-6-15-17/h1-8H,9-10H2.
What are the key properties of 4-fluoro-1-(2-pyrazol-1-ylethyl)indole?
4-fluoro-1-(2-pyrazol-1-ylethyl)indole has a molecular weight of 229.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-pyrazol-1-ylethyl)indole is sourced from PubChem (CID 82794921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).