N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide

C8H16N4O2S — CID 102690421

IUPACN-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-2-6-12(7-4-9)15(13,14)8-3-5-10-11-8/h3,5H,2,4,6-7,9H2,1H3,(H,10,11)
InChIKeyGEGRBVHTNPBIDT-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.23
Rot. Bonds6

About N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide

N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide (PubChem CID 102690421) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
PubChem CID102690421
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-2-6-12(7-4-9)15(13,14)8-3-5-10-11-8/h3,5H,2,4,6-7,9H2,1H3,(H,10,11)
InChIKeyGEGRBVHTNPBIDT-UHFFFAOYSA-N
XLogP-0.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
3-[2-methylpropyl(1H-pyrazol-5-ylsulfonyl)amino]propanethioamide
CID 102691182
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
CID 102692863
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide (CID 102690421) is N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide is CCCN(CCN)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide?
The InChIKey is GEGRBVHTNPBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-2-6-12(7-4-9)15(13,14)8-3-5-10-11-8/h3,5H,2,4,6-7,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide?
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).