N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide

C9H12N6O2S — CID 55241744

IUPACN'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide
SMILESCc1nnc(Sc2c(/C(N)=N/O)c(C)nn2C)o1
InChIInChI=1S/C9H12N6O2S/c1-4-6(7(10)14-16)8(15(3)13-4)18-9-12-11-5(2)17-9/h16H,1-3H3,(H2,10,14)
InChIKeyWMWUSBXALQQSHM-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.67
Rot. Bonds3

About N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide (PubChem CID 55241744) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide
PubChem CID55241744
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC NameN'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide
SMILESCc1nnc(Sc2c(/C(N)=N/O)c(C)nn2C)o1
InChIInChI=1S/C9H12N6O2S/c1-4-6(7(10)14-16)8(15(3)13-4)18-9-12-11-5(2)17-9/h16H,1-3H3,(H2,10,14)
InChIKeyWMWUSBXALQQSHM-UHFFFAOYSA-N
XLogP0.67
TPSA115.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide (CID 55241744) is N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide is Cc1nnc(Sc2c(/C(N)=N/O)c(C)nn2C)o1.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide?
The InChIKey is WMWUSBXALQQSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-4-6(7(10)14-16)8(15(3)13-4)18-9-12-11-5(2)17-9/h16H,1-3H3,(H2,10,14).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide has a molecular weight of 268.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide is sourced from PubChem (CID 55241744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).