N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H19N3O2S — CID 64696182

IUPACN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3O2S/c1-4-12-7-5-6-8-13(12)9-15-20(18,19)14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyHMQTUIYFEYAFES-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.07
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 64696182) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID64696182
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3O2S/c1-4-12-7-5-6-8-13(12)9-15-20(18,19)14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyHMQTUIYFEYAFES-UHFFFAOYSA-N
XLogP2.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
N-[[3-(aminomethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43589440
N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110780871
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 64696182) is N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HMQTUIYFEYAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-12-7-5-6-8-13(12)9-15-20(18,19)14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 64696182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).