N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide

C8H15N5O3S — CID 137296099

IUPACN'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
SMILESCCCS(=O)(=O)Nc1c(/C(N)=N/O)cnn1C
InChIInChI=1S/C8H15N5O3S/c1-3-4-17(15,16)12-8-6(7(9)11-14)5-10-13(8)2/h5,12,14H,3-4H2,1-2H3,(H2,9,11)
InChIKeyLCTJRNLTYQYXFL-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.33
Rot. Bonds5

About N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide

N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide (PubChem CID 137296099) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
PubChem CID137296099
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
SMILESCCCS(=O)(=O)Nc1c(/C(N)=N/O)cnn1C
InChIInChI=1S/C8H15N5O3S/c1-3-4-17(15,16)12-8-6(7(9)11-14)5-10-13(8)2/h5,12,14H,3-4H2,1-2H3,(H2,9,11)
InChIKeyLCTJRNLTYQYXFL-UHFFFAOYSA-N
XLogP-0.33
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(butylsulfonylamino)-1-methylpyrazole-4-carbothioamide
CID 79499880
ethyl N-[[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]sulfamoyl]carbamate
CID 136827551
1-methyl-5-(methylsulfonylmethylsulfonylamino)pyrazole-4-carbothioamide
CID 82843239
3,5-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136704074
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
CID 136993121
N-[4-[(E)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]pyrrolidine-1-carboxamide
CID 137277541
2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
CID 136886197
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
CID 136690600
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
3-hydroxy-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]-4-iodobenzamide
CID 136886198
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 136862283
2,4-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136716243

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide (CID 137296099) is N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide is CCCS(=O)(=O)Nc1c(/C(N)=N/O)cnn1C.
What is the InChIKey of N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide?
The InChIKey is LCTJRNLTYQYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-3-4-17(15,16)12-8-6(7(9)11-14)5-10-13(8)2/h5,12,14H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide?
N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide has a molecular weight of 261.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide is sourced from PubChem (CID 137296099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).