2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide

C9H19N5O2S — CID 66028394

IUPAC2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
SMILESCCCn1nc(C)c(N)c1NCCS(N)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-3-5-14-9(8(10)7(2)13-14)12-4-6-17(11,15)16/h12H,3-6,10H2,1-2H3,(H2,11,15,16)
InChIKeyJLYUYOSXCDFORQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.12
Rot. Bonds6

About 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide (PubChem CID 66028394) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
PubChem CID66028394
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
SMILESCCCn1nc(C)c(N)c1NCCS(N)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-3-5-14-9(8(10)7(2)13-14)12-4-6-17(11,15)16/h12H,3-6,10H2,1-2H3,(H2,11,15,16)
InChIKeyJLYUYOSXCDFORQ-UHFFFAOYSA-N
XLogP-0.12
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 66029788
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-N-cyclopropylacetamide
CID 66029167
5-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66027289
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
CID 106036104
3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide (CID 66028394) is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide is CCCn1nc(C)c(N)c1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide?
The InChIKey is JLYUYOSXCDFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-3-5-14-9(8(10)7(2)13-14)12-4-6-17(11,15)16/h12H,3-6,10H2,1-2H3,(H2,11,15,16).
What are the key properties of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide?
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 66028394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).