2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

C21H20F2N4O — CID 91887787

IUPAC2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(F)ccc1F
InChIInChI=1S/C21H20F2N4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26)
InChIKeyULTTUHPJJKXLFB-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.75
Rot. Bonds4

About 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 91887787) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID91887787
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(F)ccc1F
InChIInChI=1S/C21H20F2N4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26)
InChIKeyULTTUHPJJKXLFB-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 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 91887787) is 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is ULTTUHPJJKXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-15-8-9-18(23)17(11-15)21(28)24-16-7-4-10-27(13-16)20-12-19(25-26-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,28)(H,25,26).
What are the key properties of 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
2,5-difluoro-N-[1-(5-phenyl-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 2,5-difluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91887787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).