2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

C23H35N5O3S — CID 55413518

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)cc2)CC1
InChIInChI=1S/C23H35N5O3S/c1-6-26-11-13-27(14-12-26)32(30,31)21-9-7-20(8-10-21)24-23(29)15-22-18(4)25-28(19(22)5)16-17(2)3/h7-10,17H,6,11-16H2,1-5H3,(H,24,29)
InChIKeyQYCJPNBQBHQMII-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.66
Rot. Bonds8

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 55413518) has the molecular formula C23H35N5O3S and a molecular weight of 461.63 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID55413518
Molecular FormulaC23H35N5O3S
Molecular Weight461.63 g/mol
Exact Mass461.25
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)cc2)CC1
InChIInChI=1S/C23H35N5O3S/c1-6-26-11-13-27(14-12-26)32(30,31)21-9-7-20(8-10-21)24-23(29)15-22-18(4)25-28(19(22)5)16-17(2)3/h7-10,17H,6,11-16H2,1-5H3,(H,24,29)
InChIKeyQYCJPNBQBHQMII-UHFFFAOYSA-N
XLogP2.66
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55415091
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 55427343
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27563014
5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-methylbenzoic acid
CID 119255166
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 37292964
N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46598351
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121216
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 120566565
N-[3-[(dimethylamino)methyl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 86932013
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55374352

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 55413518) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)cc2)CC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is QYCJPNBQBHQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3S/c1-6-26-11-13-27(14-12-26)32(30,31)21-9-7-20(8-10-21)24-23(29)15-22-18(4)25-28(19(22)5)16-17(2)3/h7-10,17H,6,11-16H2,1-5H3,(H,24,29).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 461.63 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 55413518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).