4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

C15H15F4N3O2S — CID 157022648

IUPAC4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)c(-n2nc(S(C)=O)cc2C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H15F4N3O2S/c1-8-4-11(16)12(22-9(2)5-13(21-22)25(3)24)6-10(8)14(23)20-7-15(17,18)19/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyOGFKLIVZBKEFJD-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.66
Rot. Bonds4

About 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 157022648) has the molecular formula C15H15F4N3O2S and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID157022648
Molecular FormulaC15H15F4N3O2S
Molecular Weight377.36 g/mol
Exact Mass377.08
IUPAC Name4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)c(-n2nc(S(C)=O)cc2C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H15F4N3O2S/c1-8-4-11(16)12(22-9(2)5-13(21-22)25(3)24)6-10(8)14(23)20-7-15(17,18)19/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyOGFKLIVZBKEFJD-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 157022662
1-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 157022652
4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 153404383
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
4-fluoro-2-methyl-5-[2-methyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 153404397
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249379
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
4-fluoro-2-methyl-5-[5-methyl-3-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-1-yl]benzoic acid
CID 146380875
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 157022648) is 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(F)c(-n2nc(S(C)=O)cc2C)cc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OGFKLIVZBKEFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2S/c1-8-4-11(16)12(22-9(2)5-13(21-22)25(3)24)6-10(8)14(23)20-7-15(17,18)19/h4-6H,7H2,1-3H3,(H,20,23).
What are the key properties of 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 377.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 157022648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).