4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

C18H18N4O3S — CID 56915538

IUPAC4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2C2C=CS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O3S/c1-13-16(18(23)22(20(13)2)14-6-4-3-5-7-14)17-19-9-10-21(17)15-8-11-26(24,25)12-15/h3-11,15H,12H2,1-2H3
InChIKeyWIGMLAHQQHFXIW-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.83
Rot. Bonds3

About 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 56915538) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID56915538
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2C2C=CS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O3S/c1-13-16(18(23)22(20(13)2)14-6-4-3-5-7-14)17-19-9-10-21(17)15-8-11-26(24,25)12-15/h3-11,15H,12H2,1-2H3
InChIKeyWIGMLAHQQHFXIW-UHFFFAOYSA-N
XLogP1.83
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 56915538) is 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(-c2nccn2C2C=CS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is WIGMLAHQQHFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-16(18(23)22(20(13)2)14-6-4-3-5-7-14)17-19-9-10-21(17)15-8-11-26(24,25)12-15/h3-11,15H,12H2,1-2H3.
What are the key properties of 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 370.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 56915538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).