1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one

C18H22N4OS — CID 74241659

IUPAC1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1csc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C18H22N4OS/c1-13-12-24-17(19-13)11-20(3)10-16-14(2)21(4)22(18(16)23)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyYBFGDIWXIJJHCZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.88
Rot. Bonds5

About 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one (PubChem CID 74241659) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
PubChem CID74241659
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1csc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C18H22N4OS/c1-13-12-24-17(19-13)11-20(3)10-16-14(2)21(4)22(18(16)23)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyYBFGDIWXIJJHCZ-UHFFFAOYSA-N
XLogP2.88
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one 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

1,5-dimethyl-4-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
CID 70767650
1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one
CID 77079144
4-[[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl-methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 66902810
1,5-dimethyl-2-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)pyrazol-3-one
CID 6933369
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
4-[3-(2-benzyl-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24505670
benzyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-ethylazanium
CID 7445102
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
CID 154886096
butyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-methylazanium
CID 2059295
1,5-dimethyl-2-phenyl-4-[(quinolin-3-ylamino)methyl]pyrazol-3-one
CID 86791924
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one (CID 74241659) is 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one is Cc1csc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)n1.
What is the InChIKey of 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one?
The InChIKey is YBFGDIWXIJJHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-12-24-17(19-13)11-20(3)10-16-14(2)21(4)22(18(16)23)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one has a molecular weight of 342.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 74241659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).