N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide

C8H16N4O2S — CID 79524212

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-5-7-4-10-12(3)8(7)9/h4,6,11H,5,9H2,1-3H3
InChIKeyQPYJBLCIWXBMFS-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.17
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide (PubChem CID 79524212) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
PubChem CID79524212
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-5-7-4-10-12(3)8(7)9/h4,6,11H,5,9H2,1-3H3
InChIKeyQPYJBLCIWXBMFS-UHFFFAOYSA-N
XLogP-0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole
CID 79523701
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide
CID 79523429
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 79523252
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
CID 106043862
1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine
CID 79524226
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide (CID 79524212) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cnn(C)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The InChIKey is QPYJBLCIWXBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-6(2)15(13,14)11-5-7-4-10-12(3)8(7)9/h4,6,11H,5,9H2,1-3H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 79524212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).