4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole

C9H18N4O2S — CID 62040310

IUPAC4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C9H18N4O2S/c1-8-9(7-10-12-8)5-4-6-11-16(14,15)13(2)3/h7,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyJRSWIYHPBPJTJK-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.05
Rot. Bonds6

About 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole

4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole (PubChem CID 62040310) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
PubChem CID62040310
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C9H18N4O2S/c1-8-9(7-10-12-8)5-4-6-11-16(14,15)13(2)3/h7,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyJRSWIYHPBPJTJK-UHFFFAOYSA-N
XLogP0.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole 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 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole?
The IUPAC name of 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole (CID 62040310) is 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole is Cc1[nH]ncc1CCCNS(=O)(=O)N(C)C.
What is the InChIKey of 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole?
The InChIKey is JRSWIYHPBPJTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8-9(7-10-12-8)5-4-6-11-16(14,15)13(2)3/h7,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole?
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole has a molecular weight of 246.34 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 62040310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).