N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H17F3N4O2S — CID 90588192

IUPACN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)16-3-1-14(2-4-16)13-28(26,27)23-10-12-25-11-7-17(24-25)15-5-8-22-9-6-15/h1-9,11,23H,10,12-13H2
InChIKeySFOJGCJUVXHCEG-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 90588192) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID90588192
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)16-3-1-14(2-4-16)13-28(26,27)23-10-12-25-11-7-17(24-25)15-5-8-22-9-6-15/h1-9,11,23H,10,12-13H2
InChIKeySFOJGCJUVXHCEG-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-[2,6-difluoro-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490693
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490753
3-[2,3-difluoro-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490774
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
CID 78225409
6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine
CID 71112740
N-[(2,6-difluorophenyl)methyl]-6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71113175
6-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
CID 71473913
N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
CID 71473914
6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
CID 71473969
4-(5-Pyridin-3-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10021928
4-(5-Pyridin-4-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10666704

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 90588192) is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is SFOJGCJUVXHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c19-18(20,21)16-3-1-14(2-4-16)13-28(26,27)23-10-12-25-11-7-17(24-25)15-5-8-22-9-6-15/h1-9,11,23H,10,12-13H2.
What are the key properties of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 90588192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).