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

C19H18F3N3O3S — CID 21091115

IUPACN-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O3S/c1-28-16-9-7-15(8-10-16)25-17(11-18(24-25)19(20,21)22)14-5-3-13(4-6-14)12-23-29(2,26)27/h3-11,23H,12H2,1-2H3
InChIKeyUEKMFZVFGNGCEG-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.62
Rot. Bonds6

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

N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide (PubChem CID 21091115) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
PubChem CID21091115
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O3S/c1-28-16-9-7-15(8-10-16)25-17(11-18(24-25)19(20,21)22)14-5-3-13(4-6-14)12-23-29(2,26)27/h3-11,23H,12H2,1-2H3
InChIKeyUEKMFZVFGNGCEG-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide (CID 21091115) is N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is UEKMFZVFGNGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-28-16-9-7-15(8-10-16)25-17(11-18(24-25)19(20,21)22)14-5-3-13(4-6-14)12-23-29(2,26)27/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 21091115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).