N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide

C22H21F3N4O2 — CID 91887797

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-4-8-16(12-18)21(30)26-17-9-5-11-29(14-17)20-13-19(27-28-20)15-6-2-1-3-7-15/h1-4,6-8,10,12-13,17H,5,9,11,14H2,(H,26,30)(H,27,28)
InChIKeySTNHYRKIBRXORY-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.37
Rot. Bonds5

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

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 91887797) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
PubChem CID91887797
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-4-8-16(12-18)21(30)26-17-9-5-11-29(14-17)20-13-19(27-28-20)15-6-2-1-3-7-15/h1-4,6-8,10,12-13,17H,5,9,11,14H2,(H,26,30)(H,27,28)
InChIKeySTNHYRKIBRXORY-UHFFFAOYSA-N
XLogP4.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide (CID 91887797) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide is O=C(NC1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is STNHYRKIBRXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-4-8-16(12-18)21(30)26-17-9-5-11-29(14-17)20-13-19(27-28-20)15-6-2-1-3-7-15/h1-4,6-8,10,12-13,17H,5,9,11,14H2,(H,26,30)(H,27,28).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91887797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).