5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

C19H15N3O2S — CID 168995154

IUPAC5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCOc1cccc(-c2cc(=O)n(-c3nc(-c4ccccc4)cs3)[nH]2)c1
InChIInChI=1S/C19H15N3O2S/c1-24-15-9-5-8-14(10-15)16-11-18(23)22(21-16)19-20-17(12-25-19)13-6-3-2-4-7-13/h2-12,21H,1H3
InChIKeyYFMAHWOUXQXZML-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.96
Rot. Bonds4

About 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (PubChem CID 168995154) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
PubChem CID168995154
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
SMILESCOc1cccc(-c2cc(=O)n(-c3nc(-c4ccccc4)cs3)[nH]2)c1
InChIInChI=1S/C19H15N3O2S/c1-24-15-9-5-8-14(10-15)16-11-18(23)22(21-16)19-20-17(12-25-19)13-6-3-2-4-7-13/h2-12,21H,1H3
InChIKeyYFMAHWOUXQXZML-UHFFFAOYSA-N
XLogP3.96
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 2841624
4-[(3-methoxyphenyl)diazenyl]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 3884254
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 25030125
4-[(3-chlorophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 5220984
N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750988
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-[(3-bromo-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 3332411
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one (CID 168995154) is 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is COc1cccc(-c2cc(=O)n(-c3nc(-c4ccccc4)cs3)[nH]2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
The InChIKey is YFMAHWOUXQXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-15-9-5-8-14(10-15)16-11-18(23)22(21-16)19-20-17(12-25-19)13-6-3-2-4-7-13/h2-12,21H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one?
5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one has a molecular weight of 349.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 168995154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).