3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide

C12H22N4O3S — CID 43236436

IUPAC3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-10-12(11(2)15-14-10)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyZSKSFZUCDGJBRC-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.03
Rot. Bonds6

About 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 43236436) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID43236436
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S/c1-10-12(11(2)15-14-10)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyZSKSFZUCDGJBRC-UHFFFAOYSA-N
XLogP0.03
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide (CID 43236436) is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZSKSFZUCDGJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-10-12(11(2)15-14-10)20(17,18)13-4-3-5-16-6-8-19-9-7-16/h13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43236436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).