2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one

C15H15N3O2S — CID 2872363

IUPAC2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(N3N=C(C)C(C)C3=O)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)17-18(14(9)19)15-16-13(8-21-15)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3
InChIKeyWLMFAVQCCLKVMA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.18
Rot. Bonds3

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

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one (PubChem CID 2872363) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
PubChem CID2872363
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
SMILESCOc1ccc(-c2csc(N3N=C(C)C(C)C3=O)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)17-18(14(9)19)15-16-13(8-21-15)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3
InChIKeyWLMFAVQCCLKVMA-UHFFFAOYSA-N
XLogP3.18
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one (CID 2872363) is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one is COc1ccc(-c2csc(N3N=C(C)C(C)C3=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one?
The InChIKey is WLMFAVQCCLKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-10(2)17-18(14(9)19)15-16-13(8-21-15)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one?
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one has a molecular weight of 301.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one is sourced from PubChem (CID 2872363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).