CID 175754430

C12H15MgN3O — CID 175754430

IUPAC—
SMILESCNc1c(C)n(C)n(-c2ccccc2)c1=O.[Mg]
InChIInChI=1S/C12H15N3O.Mg/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;
InChIKeyHKVMGMRARZEGEK-UHFFFAOYSA-N
MW241.58 g/mol
LogP1.15
Rot. Bonds2

About CID 175754430

CID 175754430 (PubChem CID 175754430) has the molecular formula C12H15MgN3O and a molecular weight of 241.58 g/mol.

Molecular Properties

Compound NameCID 175754430
PubChem CID175754430
Molecular FormulaC12H15MgN3O
Molecular Weight241.58 g/mol
Exact Mass241.11
IUPAC Name—
SMILESCNc1c(C)n(C)n(-c2ccccc2)c1=O.[Mg]
InChIInChI=1S/C12H15N3O.Mg/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;
InChIKeyHKVMGMRARZEGEK-UHFFFAOYSA-N
XLogP1.15
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.58
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 175754430 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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58969767
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 2862939
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
CID 19145
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
1,5-dimethyl-4-(octylamino)-2-phenylpyrazol-3-one
CID 110823818
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
CID 75611382
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,5-trimethylbenzenesulfonamide
CID 7573888
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535

Frequently Asked Questions

What is the IUPAC name of CID 175754430?
The IUPAC name of CID 175754430 (CID 175754430) is not available.
What is the SMILES notation for CID 175754430?
The canonical SMILES for CID 175754430 is CNc1c(C)n(C)n(-c2ccccc2)c1=O.[Mg].
What is the InChIKey of CID 175754430?
The InChIKey is HKVMGMRARZEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.Mg/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;.
What are the key properties of CID 175754430?
CID 175754430 has a molecular weight of 241.58 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175754430 is sourced from PubChem (CID 175754430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).