3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

C21H20F2N4O — CID 91887839

IUPAC3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(F)c1
InChIInChI=1S/C21H20F2N4O/c22-16-8-6-14(7-9-16)19-12-20(26-25-19)27-10-2-5-18(13-27)24-21(28)15-3-1-4-17(23)11-15/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26)
InChIKeyHVMALRYCRMDCRC-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.75
Rot. Bonds4

About 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 91887839) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID91887839
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(F)c1
InChIInChI=1S/C21H20F2N4O/c22-16-8-6-14(7-9-16)19-12-20(26-25-19)27-10-2-5-18(13-27)24-21(28)15-3-1-4-17(23)11-15/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26)
InChIKeyHVMALRYCRMDCRC-UHFFFAOYSA-N
XLogP3.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 91887839) is 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is HVMALRYCRMDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-16-8-6-14(7-9-16)19-12-20(26-25-19)27-10-2-5-18(13-27)24-21(28)15-3-1-4-17(23)11-15/h1,3-4,6-9,11-12,18H,2,5,10,13H2,(H,24,28)(H,25,26).
What are the key properties of 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 91887839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).