N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C18H17F3N4O2S — CID 122274272

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCn1nccc1-c1cncc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N4O2S/c1-25-17(5-6-23-25)15-7-14(9-22-11-15)10-24-28(26,27)12-13-3-2-4-16(8-13)18(19,20)21/h2-9,11,24H,10,12H2,1H3
InChIKeyZQIKQCPFADIAEW-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.12
Rot. Bonds6

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 122274272) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID122274272
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCn1nccc1-c1cncc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N4O2S/c1-25-17(5-6-23-25)15-7-14(9-22-11-15)10-24-28(26,27)12-13-3-2-4-16(8-13)18(19,20)21/h2-9,11,24H,10,12H2,1H3
InChIKeyZQIKQCPFADIAEW-UHFFFAOYSA-N
XLogP3.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
CID 122274253
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-sulfonamide
CID 122274274
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
CID 122150328
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 122274272) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is Cn1nccc1-c1cncc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZQIKQCPFADIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-25-17(5-6-23-25)15-7-14(9-22-11-15)10-24-28(26,27)12-13-3-2-4-16(8-13)18(19,20)21/h2-9,11,24H,10,12H2,1H3.
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 122274272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).