N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

C18H23FN4O3S — CID 53142860

IUPACN-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O3S/c1-13(14-6-8-15(19)9-7-14)20-17(24)16-12-22(2)21-18(16)27(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,24)
InChIKeyOUSYXYRNBHVUAF-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142860) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142860
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O3S/c1-13(14-6-8-15(19)9-7-14)20-17(24)16-12-22(2)21-18(16)27(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,24)
InChIKeyOUSYXYRNBHVUAF-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (CID 53142860) is N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is CC(NC(=O)c1cn(C)nc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is OUSYXYRNBHVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-13(14-6-8-15(19)9-7-14)20-17(24)16-12-22(2)21-18(16)27(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).