3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C24H25FN4O — CID 24819214

IUPAC3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H25FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-11,14,18,22H,12-13,15-17H2,(H,27,30)/b8-5+
InChIKeyGASYXHJCHOBEBN-VMPITWQZSA-N
MW404.49 g/mol
LogP4.62
Rot. Bonds6

About 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24819214) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24819214
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H25FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-11,14,18,22H,12-13,15-17H2,(H,27,30)/b8-5+
InChIKeyGASYXHJCHOBEBN-VMPITWQZSA-N
XLogP4.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24819214) is 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is GASYXHJCHOBEBN-VMPITWQZSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-11,14,18,22H,12-13,15-17H2,(H,27,30)/b8-5+.
What are the key properties of 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24819214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).