4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one

C15H15N3O2S — CID 66889076

IUPAC4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Cn2cc(-c3csc(=O)[nH]3)c(C)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-13(14-9-21-15(19)16-14)8-18(17-10)7-11-3-5-12(20-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyVKMNJFYJNXBSPT-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.67
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one

4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one (PubChem CID 66889076) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one
PubChem CID66889076
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Cn2cc(-c3csc(=O)[nH]3)c(C)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-13(14-9-21-15(19)16-14)8-18(17-10)7-11-3-5-12(20-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyVKMNJFYJNXBSPT-UHFFFAOYSA-N
XLogP2.67
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
CID 86692031
1-[(4-methoxyphenyl)methyl]-3-methyl-4-(4-nitrophenoxy)pyrazole
CID 174580999
sodium;hydride;1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-3-sulfinic acid
CID 175439861
2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 154637502
2-[(4-methoxyphenyl)methyl]-8,8-dimethyl-5,6-dihydrooxepino[3,4-c]pyrazol-4-one
CID 66667493
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10292620
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
1-[(4-methoxyphenyl)methyl]-3-methyl-4-(2-methyl-4-nitrophenoxy)pyrazole
CID 151073925
1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
CID 145071423
5-bromo-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-oxepino[2,3-c]pyrazol-4-one
CID 66667363
N-[2-carbamoyl-5-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]thiophen-3-yl]-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 71147298

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one (CID 66889076) is 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one is COc1ccc(Cn2cc(-c3csc(=O)[nH]3)c(C)n2)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one?
The InChIKey is VKMNJFYJNXBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-13(14-9-21-15(19)16-14)8-18(17-10)7-11-3-5-12(20-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,16,19).
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one?
4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 66889076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).