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

C7H7N3OS — CID 130157569

IUPAC5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
SMILESCC1=NN(c2nccs2)C(=O)C1
InChIInChI=1S/C7H7N3OS/c1-5-4-6(11)10(9-5)7-8-2-3-12-7/h2-3H,4H2,1H3
InChIKeyVBNMLIKFXYXAGR-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.26
Rot. Bonds1

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

5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one (PubChem CID 130157569) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
PubChem CID130157569
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
SMILESCC1=NN(c2nccs2)C(=O)C1
InChIInChI=1S/C7H7N3OS/c1-5-4-6(11)10(9-5)7-8-2-3-12-7/h2-3H,4H2,1H3
InChIKeyVBNMLIKFXYXAGR-UHFFFAOYSA-N
XLogP1.26
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
CID 141376845
2-(5-fluoro-2-pyridinyl)-5-methyl-4H-pyrazol-3-one
CID 176698982
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
1-methyl-3-(1,3-thiazol-2-yl)imidazolidin-2-one
CID 69187267
2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;hydrate;dihydrochloride
CID 74892069
2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 1227222
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-(chloromethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 139771879
4-methyl-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 175371107
6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841
2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole
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4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl chloride
CID 10776232

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one (CID 130157569) is 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one is CC1=NN(c2nccs2)C(=O)C1.
What is the InChIKey of 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
The InChIKey is VBNMLIKFXYXAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-5-4-6(11)10(9-5)7-8-2-3-12-7/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one?
5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one has a molecular weight of 181.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 130157569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).