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

C9H11N3OS — CID 165451201

IUPAC2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one
SMILESCc1nc(-c2c(C)[nH]n(C)c2=O)cs1
InChIInChI=1S/C9H11N3OS/c1-5-8(9(13)12(3)11-5)7-4-14-6(2)10-7/h4,11H,1-3H3
InChIKeyMPOAEIKWWLCPQW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.45
Rot. Bonds1

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

2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one (PubChem CID 165451201) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one
PubChem CID165451201
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one
SMILESCc1nc(-c2c(C)[nH]n(C)c2=O)cs1
InChIInChI=1S/C9H11N3OS/c1-5-8(9(13)12(3)11-5)7-4-14-6(2)10-7/h4,11H,1-3H3
InChIKeyMPOAEIKWWLCPQW-UHFFFAOYSA-N
XLogP1.45
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one (CID 165451201) is 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one is Cc1nc(-c2c(C)[nH]n(C)c2=O)cs1.
What is the InChIKey of 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one?
The InChIKey is MPOAEIKWWLCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-8(9(13)12(3)11-5)7-4-14-6(2)10-7/h4,11H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one?
2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 165451201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).