N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

C14H20N4O2S — CID 154838842

IUPACN,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C14H20N4O2S/c1-5-17-12(4)14(11(3)16-17)21(19,20)18(6-2)13-8-7-9-15-10-13/h7-10H,5-6H2,1-4H3
InChIKeyIOVOTKHBNVFZKE-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.13
Rot. Bonds5

About N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (PubChem CID 154838842) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
PubChem CID154838842
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C14H20N4O2S/c1-5-17-12(4)14(11(3)16-17)21(19,20)18(6-2)13-8-7-9-15-10-13/h7-10H,5-6H2,1-4H3
InChIKeyIOVOTKHBNVFZKE-UHFFFAOYSA-N
XLogP2.13
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (CID 154838842) is N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is CCN(c1cccnc1)S(=O)(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The InChIKey is IOVOTKHBNVFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-17-12(4)14(11(3)16-17)21(19,20)18(6-2)13-8-7-9-15-10-13/h7-10H,5-6H2,1-4H3.
What are the key properties of N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 154838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).