N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide

C19H20FN3O2S — CID 22205547

IUPACN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(22-26(24,25)13-16-7-4-3-5-8-16)15(2)23(21-14)12-17-9-6-10-18(20)11-17/h3-11,22H,12-13H2,1-2H3
InChIKeyLJVTZGBSNIOSEW-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.63
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide

N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide (PubChem CID 22205547) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
PubChem CID22205547
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(22-26(24,25)13-16-7-4-3-5-8-16)15(2)23(21-14)12-17-9-6-10-18(20)11-17/h3-11,22H,12-13H2,1-2H3
InChIKeyLJVTZGBSNIOSEW-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide (CID 22205547) is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide?
The InChIKey is LJVTZGBSNIOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-14-19(22-26(24,25)13-16-7-4-3-5-8-16)15(2)23(21-14)12-17-9-6-10-18(20)11-17/h3-11,22H,12-13H2,1-2H3.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide?
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 22205547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).