5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

C24H27ClN4O3S — CID 60602914

IUPAC5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1
InChIInChI=1S/C24H27ClN4O3S/c1-3-33(31,32)21-11-9-19(10-12-21)28-15-13-18(14-16-28)26-24(30)22-17(2)27-29(23(22)25)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3,(H,26,30)
InChIKeyOILJIUDSVXPDPV-UHFFFAOYSA-N
MW487.03 g/mol
LogP4.03
Rot. Bonds6

About 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 60602914) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID60602914
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC Name5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1
InChIInChI=1S/C24H27ClN4O3S/c1-3-33(31,32)21-11-9-19(10-12-21)28-15-13-18(14-16-28)26-24(30)22-17(2)27-29(23(22)25)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3,(H,26,30)
InChIKeyOILJIUDSVXPDPV-UHFFFAOYSA-N
XLogP4.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 60602914) is 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OILJIUDSVXPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-3-33(31,32)21-11-9-19(10-12-21)28-15-13-18(14-16-28)26-24(30)22-17(2)27-29(23(22)25)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3,(H,26,30).
What are the key properties of 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 487.03 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60602914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).