4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole

C15H16FN3 — CID 82792719

IUPAC4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
SMILESCC(C)n1ccc(Cn2ccc3c(F)cccc32)n1
InChIInChI=1S/C15H16FN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyCJQJEISECKXKRR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.61
Rot. Bonds3

About 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole

4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole (PubChem CID 82792719) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
PubChem CID82792719
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
SMILESCC(C)n1ccc(Cn2ccc3c(F)cccc32)n1
InChIInChI=1S/C15H16FN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyCJQJEISECKXKRR-UHFFFAOYSA-N
XLogP3.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The IUPAC name of 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole (CID 82792719) is 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole.
What is the SMILES notation for 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The canonical SMILES for 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole is CC(C)n1ccc(Cn2ccc3c(F)cccc32)n1.
What is the InChIKey of 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The InChIKey is CJQJEISECKXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole has a molecular weight of 257.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole is sourced from PubChem (CID 82792719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).