N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 43091245

IUPACN,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C13H18N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(3)9-7-12-6-4-5-8-14-12/h4-6,8H,7,9H2,1-3H3,(H,15,16)
InChIKeyQHUVTNQLHSHMRI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.28
Rot. Bonds5

About N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 43091245) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID43091245
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C13H18N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(3)9-7-12-6-4-5-8-14-12/h4-6,8H,7,9H2,1-3H3,(H,15,16)
InChIKeyQHUVTNQLHSHMRI-UHFFFAOYSA-N
XLogP1.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110716098
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
CID 91650887
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide (CID 43091245) is N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1ccccn1.
What is the InChIKey of N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QHUVTNQLHSHMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(3)9-7-12-6-4-5-8-14-12/h4-6,8H,7,9H2,1-3H3,(H,15,16).
What are the key properties of N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43091245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).