N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide

C17H24N4O3S — CID 134702896

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCCc1c(C)nn(C)c1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H24N4O3S/c1-6-15-12(2)19-20(4)16(15)18-17(22)13(3)21(25(5,23)24)14-10-8-7-9-11-14/h7-11,13H,6H2,1-5H3,(H,18,22)
InChIKeyQSRZVOHQRRUZOL-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.08
Rot. Bonds6

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 134702896) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID134702896
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCCc1c(C)nn(C)c1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H24N4O3S/c1-6-15-12(2)19-20(4)16(15)18-17(22)13(3)21(25(5,23)24)14-10-8-7-9-11-14/h7-11,13H,6H2,1-5H3,(H,18,22)
InChIKeyQSRZVOHQRRUZOL-UHFFFAOYSA-N
XLogP2.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134704812
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 2912654
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162007
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
CID 99956482
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide (CID 134702896) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide is CCc1c(C)nn(C)c1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is QSRZVOHQRRUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-6-15-12(2)19-20(4)16(15)18-17(22)13(3)21(25(5,23)24)14-10-8-7-9-11-14/h7-11,13H,6H2,1-5H3,(H,18,22).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 364.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 134702896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).