N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide

C21H20F2N4O3S — CID 91628935

IUPACN-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH]n1
InChIInChI=1S/C21H20F2N4O3S/c22-15-5-1-3-7-17(15)24-21(28)19-13-18(25-26-19)14-9-11-27(12-10-14)31(29,30)20-8-4-2-6-16(20)23/h1-8,13-14H,9-12H2,(H,24,28)(H,25,26)
InChIKeyQFUDLJYKFOCSRW-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.51
Rot. Bonds5

About N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628935) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628935
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC NameN-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH]n1
InChIInChI=1S/C21H20F2N4O3S/c22-15-5-1-3-7-17(15)24-21(28)19-13-18(25-26-19)14-9-11-27(12-10-14)31(29,30)20-8-4-2-6-16(20)23/h1-8,13-14H,9-12H2,(H,24,28)(H,25,26)
InChIKeyQFUDLJYKFOCSRW-UHFFFAOYSA-N
XLogP3.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628935) is N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QFUDLJYKFOCSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c22-15-5-1-3-7-17(15)24-21(28)19-13-18(25-26-19)14-9-11-27(12-10-14)31(29,30)20-8-4-2-6-16(20)23/h1-8,13-14H,9-12H2,(H,24,28)(H,25,26).
What are the key properties of N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).