N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C25H31N5O4S — CID 4965557

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C25H31N5O4S/c1-18-10-11-19(2)22(16-18)35(33,34)29-14-12-28(13-15-29)17-23(31)26-24-20(3)27(4)30(25(24)32)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3,(H,26,31)
InChIKeyFGHGMJNSWJCWPN-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.05
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4965557) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4965557
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C25H31N5O4S/c1-18-10-11-19(2)22(16-18)35(33,34)29-14-12-28(13-15-29)17-23(31)26-24-20(3)27(4)30(25(24)32)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3,(H,26,31)
InChIKeyFGHGMJNSWJCWPN-UHFFFAOYSA-N
XLogP2.05
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
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2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 648425
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195948
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22194062
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2331096
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 4965557) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is FGHGMJNSWJCWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-18-10-11-19(2)22(16-18)35(33,34)29-14-12-28(13-15-29)17-23(31)26-24-20(3)27(4)30(25(24)32)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3,(H,26,31).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 497.62 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4965557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).