N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide

C23H26N4O4S — CID 39932948

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-2-31-21-12-11-18(17-22(21)32(29,30)26-14-7-4-8-15-26)24-23(28)20-13-16-27(25-20)19-9-5-3-6-10-19/h3,5-6,9-13,16-17H,2,4,7-8,14-15H2,1H3,(H,24,28)
InChIKeyRBUCLEPMOQBRAO-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.70
Rot. Bonds7

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 39932948) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID39932948
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-2-31-21-12-11-18(17-22(21)32(29,30)26-14-7-4-8-15-26)24-23(28)20-13-16-27(25-20)19-9-5-3-6-10-19/h3,5-6,9-13,16-17H,2,4,7-8,14-15H2,1H3,(H,24,28)
InChIKeyRBUCLEPMOQBRAO-UHFFFAOYSA-N
XLogP3.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34405095
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 33205170
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenylmethoxypyridine-4-carboxamide
CID 55996590
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24666449

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide (CID 39932948) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is RBUCLEPMOQBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-2-31-21-12-11-18(17-22(21)32(29,30)26-14-7-4-8-15-26)24-23(28)20-13-16-27(25-20)19-9-5-3-6-10-19/h3,5-6,9-13,16-17H,2,4,7-8,14-15H2,1H3,(H,24,28).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 39932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).