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

C12H8ClN3OS — CID 141376845

IUPAC5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
SMILESO=C1CC(c2cccc(Cl)c2)=NN1c1nccs1
InChIInChI=1S/C12H8ClN3OS/c13-9-3-1-2-8(6-9)10-7-11(17)16(15-10)12-14-4-5-18-12/h1-6H,7H2
InChIKeyBKHGJUBPIVQUOP-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.94
Rot. Bonds2

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

5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one (PubChem CID 141376845) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
PubChem CID141376845
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
SMILESO=C1CC(c2cccc(Cl)c2)=NN1c1nccs1
InChIInChI=1S/C12H8ClN3OS/c13-9-3-1-2-8(6-9)10-7-11(17)16(15-10)12-14-4-5-18-12/h1-6H,7H2
InChIKeyBKHGJUBPIVQUOP-UHFFFAOYSA-N
XLogP2.94
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
CID 130157569
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-4H-pyrazol-3-one
CID 2869564
5-(3-chlorophenyl)-4-methyl-11-(1,3-thiazol-2-yl)-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25239766
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
CID 28829622
5-(3-chlorophenyl)-4-ethyl-11-(1,3-thiazol-2-yl)-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 30469377
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1348398
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2893104
4-(3-chlorophenyl)-5H-1,3-oxazol-2-one
CID 162720035
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 82357957

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The IUPAC name of 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one (CID 141376845) is 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The canonical SMILES for 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one is O=C1CC(c2cccc(Cl)c2)=NN1c1nccs1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The InChIKey is BKHGJUBPIVQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-9-3-1-2-8(6-9)10-7-11(17)16(15-10)12-14-4-5-18-12/h1-6H,7H2.
What are the key properties of 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one has a molecular weight of 277.74 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 141376845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).