N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide

C9H17N3O2S — CID 22771446

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cn(C)nc1C
InChIInChI=1S/C9H17N3O2S/c1-5-15(13,14)12(4)7-9-6-11(3)10-8(9)2/h6H,5,7H2,1-4H3
InChIKeyMHESSUSYOHYRMH-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.51
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide (PubChem CID 22771446) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
PubChem CID22771446
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cn(C)nc1C
InChIInChI=1S/C9H17N3O2S/c1-5-15(13,14)12(4)7-9-6-11(3)10-8(9)2/h6H,5,7H2,1-4H3
InChIKeyMHESSUSYOHYRMH-UHFFFAOYSA-N
XLogP0.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-propylbenzenesulfonamide
CID 22771421
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771414
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 22771442
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771454
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22203942
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
CID 22771443
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
CID 35533409
5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326548
2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 83095079
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 22196210
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 102801488

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide (CID 22771446) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)Cc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide?
The InChIKey is MHESSUSYOHYRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-15(13,14)12(4)7-9-6-11(3)10-8(9)2/h6H,5,7H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 22771446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).