3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide

C19H27N3O4S — CID 86868974

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)12-22-15(4)18(14(3)20-22)9-10-19(23)21-27(24,25)17-8-6-7-16(11-17)26-5/h6-8,11,13H,9-10,12H2,1-5H3,(H,21,23)
InChIKeyAKLYVPXXPDRNIR-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.60
Rot. Bonds8

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide (PubChem CID 86868974) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide
PubChem CID86868974
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)12-22-15(4)18(14(3)20-22)9-10-19(23)21-27(24,25)17-8-6-7-16(11-17)26-5/h6-8,11,13H,9-10,12H2,1-5H3,(H,21,23)
InChIKeyAKLYVPXXPDRNIR-UHFFFAOYSA-N
XLogP2.60
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43035284
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 37065850
3-ethylsulfanyl-N-(3-methoxyphenyl)sulfonylpropanamide
CID 47480123
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 112827777
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581004
N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 33163292
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550127

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide (CID 86868974) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide is COc1cccc(S(=O)(=O)NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide?
The InChIKey is AKLYVPXXPDRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)12-22-15(4)18(14(3)20-22)9-10-19(23)21-27(24,25)17-8-6-7-16(11-17)26-5/h6-8,11,13H,9-10,12H2,1-5H3,(H,21,23).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 86868974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).