N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H19N5O3S — CID 113010431

IUPACN-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C13H19N5O3S/c1-9-13(10(2)17-16-9)22(19,20)18-11-4-5-12(15-8-11)14-6-7-21-3/h4-5,8,18H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKCDDDVHGCNOEKI-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.28
Rot. Bonds7

About N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113010431) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113010431
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C13H19N5O3S/c1-9-13(10(2)17-16-9)22(19,20)18-11-4-5-12(15-8-11)14-6-7-21-3/h4-5,8,18H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKCDDDVHGCNOEKI-UHFFFAOYSA-N
XLogP1.28
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-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

Related Compounds

N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
N-[5-(4-tert-butylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113032967
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113010431) is N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KCDDDVHGCNOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9-13(10(2)17-16-9)22(19,20)18-11-4-5-12(15-8-11)14-6-7-21-3/h4-5,8,18H,6-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113010431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).