N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C13H12F3N3O3S — CID 71969427

IUPACN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O
InChIInChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3
InChIKeyYURRVUSFAHHMQT-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 71969427) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID71969427
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC NameN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O
InChIInChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3
InChIKeyYURRVUSFAHHMQT-UHFFFAOYSA-N
XLogP1.92
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119584807
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 120650260
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 120657928
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124694662
N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660
N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 75468856

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 71969427) is N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is YURRVUSFAHHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3.
What are the key properties of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 347.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 71969427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).