N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide

C12H12F3N3O2S — CID 2812005

IUPACN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C12H12F3N3O2S/c1-18-11(17-21(2,19)20)9(8-6-4-3-5-7-8)10(16-18)12(13,14)15/h3-7,17H,1-2H3
InChIKeyGBIVZZCIQDWQKN-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.48
Rot. Bonds3

About N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide

N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide (PubChem CID 2812005) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide
PubChem CID2812005
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C12H12F3N3O2S/c1-18-11(17-21(2,19)20)9(8-6-4-3-5-7-8)10(16-18)12(13,14)15/h3-7,17H,1-2H3
InChIKeyGBIVZZCIQDWQKN-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
1-Methyl-3-phenyl-1H-pyrazol-5-ylsulfamic acid
CID 5327154
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2815271
3-(3,5-Difluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 43158892
3-Ethyl-4-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 16606839
1-Methyl-3-(phenylmethyl)-1H-pyrazol-5-amine
CID 13324830
4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine
CID 28812042
3-(2,4-difluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 43158860
N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 2815264

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide (CID 2812005) is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide is Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NS(C)(=O)=O.
What is the InChIKey of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide?
The InChIKey is GBIVZZCIQDWQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-18-11(17-21(2,19)20)9(8-6-4-3-5-7-8)10(16-18)12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide?
N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 2812005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).