N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H21N3O3S — CID 51290114

IUPACN-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)9-10-16(20)17-13-5-7-14(8-6-13)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyFYRWXBGTNORLQE-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.01
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 51290114) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID51290114
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)9-10-16(20)17-13-5-7-14(8-6-13)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyFYRWXBGTNORLQE-UHFFFAOYSA-N
XLogP2.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55477153
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide
CID 71810812
N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51300238
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 51111573
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 51290114) is N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FYRWXBGTNORLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)9-10-16(20)17-13-5-7-14(8-6-13)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51290114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).