5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide

C9H19N5O2S — CID 63693578

IUPAC5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-13(2)5-4-6-14(3)17(15,16)8-7-11-12-9(8)10/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyNVWOEVDJAURMJZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.44
Rot. Bonds6

About 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide

5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 63693578) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID63693578
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-13(2)5-4-6-14(3)17(15,16)8-7-11-12-9(8)10/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyNVWOEVDJAURMJZ-UHFFFAOYSA-N
XLogP-0.44
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324
5-amino-N-propan-2-yl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60809109
5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113484
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
CID 54963921
N-[3-(dimethylamino)propyl]-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63700254
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
CID 66000148
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 63693578) is 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide is CN(C)CCCN(C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NVWOEVDJAURMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-13(2)5-4-6-14(3)17(15,16)8-7-11-12-9(8)10/h7H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63693578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).