1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone

C19H21FN4O — CID 118060421

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc(-c3c[nH]c4cc(F)ccc34)c2C)CC1
InChIInChI=1S/C19H21FN4O/c1-12-17(18-10-21-19-9-14(20)3-4-16(18)19)11-22-24(12)15-5-7-23(8-6-15)13(2)25/h3-4,9-11,15,21H,5-8H2,1-2H3
InChIKeySPQKBSGRGAFEPI-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.66
Rot. Bonds2

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118060421) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118060421
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc(-c3c[nH]c4cc(F)ccc34)c2C)CC1
InChIInChI=1S/C19H21FN4O/c1-12-17(18-10-21-19-9-14(20)3-4-16(18)19)11-22-24(12)15-5-7-23(8-6-15)13(2)25/h3-4,9-11,15,21H,5-8H2,1-2H3
InChIKeySPQKBSGRGAFEPI-UHFFFAOYSA-N
XLogP3.66
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone (CID 118060421) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc(-c3c[nH]c4cc(F)ccc34)c2C)CC1.
What is the InChIKey of 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is SPQKBSGRGAFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12-17(18-10-21-19-9-14(20)3-4-16(18)19)11-22-24(12)15-5-7-23(8-6-15)13(2)25/h3-4,9-11,15,21H,5-8H2,1-2H3.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-1H-indol-3-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118060421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).