6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole

C17H20FN3 — CID 116619996

IUPAC6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole
SMILESCCC(CC)n1ccc(Cn2ccc3ccc(F)cc32)n1
InChIInChI=1S/C17H20FN3/c1-3-16(4-2)21-10-8-15(19-21)12-20-9-7-13-5-6-14(18)11-17(13)20/h5-11,16H,3-4,12H2,1-2H3
InChIKeyQEZFULOLDAOUAO-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.39
Rot. Bonds5

About 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole

6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole (PubChem CID 116619996) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole.

Molecular Properties

Compound Name6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole
PubChem CID116619996
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole
SMILESCCC(CC)n1ccc(Cn2ccc3ccc(F)cc32)n1
InChIInChI=1S/C17H20FN3/c1-3-16(4-2)21-10-8-15(19-21)12-20-9-7-13-5-6-14(18)11-17(13)20/h5-11,16H,3-4,12H2,1-2H3
InChIKeyQEZFULOLDAOUAO-UHFFFAOYSA-N
XLogP4.39
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole
CID 116619782
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
CID 116619780
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
3-(6-fluoroindol-1-yl)propanal
CID 63040201
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906
1-(2-ethylhexyl)-6-fluoroindole
CID 116619809
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
6-fluoro-1-nonylindole
CID 116619867

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole?
The IUPAC name of 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole (CID 116619996) is 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole.
What is the SMILES notation for 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole?
The canonical SMILES for 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole is CCC(CC)n1ccc(Cn2ccc3ccc(F)cc32)n1.
What is the InChIKey of 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole?
The InChIKey is QEZFULOLDAOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-16(4-2)21-10-8-15(19-21)12-20-9-7-13-5-6-14(18)11-17(13)20/h5-11,16H,3-4,12H2,1-2H3.
What are the key properties of 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole?
6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole has a molecular weight of 285.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole is sourced from PubChem (CID 116619996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).