N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide

C18H17F3N4O3S — CID 21091119

IUPACN-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H17F3N4O3S/c1-28-17-8-7-14(11-22-17)25-15(9-16(24-25)18(19,20)21)13-5-3-12(4-6-13)10-23-29(2,26)27/h3-9,11,23H,10H2,1-2H3
InChIKeyHGTGNWWWZPHAGU-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.01
Rot. Bonds6

About N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide

N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide (PubChem CID 21091119) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
PubChem CID21091119
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C18H17F3N4O3S/c1-28-17-8-7-14(11-22-17)25-15(9-16(24-25)18(19,20)21)13-5-3-12(4-6-13)10-23-29(2,26)27/h3-9,11,23H,10H2,1-2H3
InChIKeyHGTGNWWWZPHAGU-UHFFFAOYSA-N
XLogP3.01
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide (CID 21091119) is N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is HGTGNWWWZPHAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-28-17-8-7-14(11-22-17)25-15(9-16(24-25)18(19,20)21)13-5-3-12(4-6-13)10-23-29(2,26)27/h3-9,11,23H,10H2,1-2H3.
What are the key properties of N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 426.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 21091119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).