N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide

C15H19N3O3S — CID 42109664

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-13(7-5-11)22(20,21)9-8-15(19)16-14-10-12(2)17-18(14)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyCQNYRRCBDLNGHC-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.84
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 42109664) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID42109664
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-13(7-5-11)22(20,21)9-8-15(19)16-14-10-12(2)17-18(14)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyCQNYRRCBDLNGHC-UHFFFAOYSA-N
XLogP1.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 42109664) is N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is CQNYRRCBDLNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-4-6-13(7-5-11)22(20,21)9-8-15(19)16-14-10-12(2)17-18(14)3/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 42109664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).