N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride

C10H21ClN4O2S — CID 71780067

IUPACN-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)cc1S(=O)(=O)NCCCN(C)C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-9-10(8-14(4)12-9)17(15,16)11-6-5-7-13(2)3;/h8,11H,5-7H2,1-4H3;1H
InChIKeyKUZDRERVAGSNKY-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.38
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride

N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 71780067) has the molecular formula C10H21ClN4O2S and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID71780067
Molecular FormulaC10H21ClN4O2S
Molecular Weight296.82 g/mol
Exact Mass296.11
IUPAC NameN-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)cc1S(=O)(=O)NCCCN(C)C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-9-10(8-14(4)12-9)17(15,16)11-6-5-7-13(2)3;/h8,11H,5-7H2,1-4H3;1H
InChIKeyKUZDRERVAGSNKY-UHFFFAOYSA-N
XLogP0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride (CID 71780067) is N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)cc1S(=O)(=O)NCCCN(C)C.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is KUZDRERVAGSNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S.ClH/c1-9-10(8-14(4)12-9)17(15,16)11-6-5-7-13(2)3;/h8,11H,5-7H2,1-4H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride?
N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 71780067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).