N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide

C16H19N5O2S — CID 70729808

IUPACN-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1ccccc1Cn1cccn1
InChIInChI=1S/C16H19N5O2S/c1-17-24(22,23)12-11-20-10-8-18-16(20)15-6-3-2-5-14(15)13-21-9-4-7-19-21/h2-10,17H,11-13H2,1H3
InChIKeyCBKTUAAMUDGOOO-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.34
Rot. Bonds7

About N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide

N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide (PubChem CID 70729808) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
PubChem CID70729808
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1ccccc1Cn1cccn1
InChIInChI=1S/C16H19N5O2S/c1-17-24(22,23)12-11-20-10-8-18-16(20)15-6-3-2-5-14(15)13-21-9-4-7-19-21/h2-10,17H,11-13H2,1H3
InChIKeyCBKTUAAMUDGOOO-UHFFFAOYSA-N
XLogP1.34
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
CID 146046653
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
(3S,4S)-1,1-dioxo-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]thiolan-3-ol
CID 56864786
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138808259
4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851088
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide (CID 70729808) is N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide is CNS(=O)(=O)CCn1ccnc1-c1ccccc1Cn1cccn1.
What is the InChIKey of N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide?
The InChIKey is CBKTUAAMUDGOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-17-24(22,23)12-11-20-10-8-18-16(20)15-6-3-2-5-14(15)13-21-9-4-7-19-21/h2-10,17H,11-13H2,1H3.
What are the key properties of N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide?
N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide has a molecular weight of 345.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 70729808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).