N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H16F3N3O3S — CID 136556916

IUPACN-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(CS(C)(=O)=O)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O3S/c1-10(21-7-6-13(20-21)15(16,17)18)14(22)19-12-5-3-4-11(8-12)9-25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyWHVRUULEFUBZGP-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.65
Rot. Bonds5

About N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 136556916) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID136556916
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(CS(C)(=O)=O)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O3S/c1-10(21-7-6-13(20-21)15(16,17)18)14(22)19-12-5-3-4-11(8-12)9-25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyWHVRUULEFUBZGP-UHFFFAOYSA-N
XLogP2.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957
(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
(2S)-2-amino-4-methyl-N-[3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119756858
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136557445
N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953596
N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155961991
N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953600
1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 71935421
(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 95752917
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504555

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 136556916) is N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1cccc(CS(C)(=O)=O)c1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is WHVRUULEFUBZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-10(21-7-6-13(20-21)15(16,17)18)14(22)19-12-5-3-4-11(8-12)9-25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 375.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 136556916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).