2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C18H18N4O2S — CID 49356434

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1nccs1
InChIInChI=1S/C18H18N4O2S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)17(23)18(24)20-9-8-15-19-10-11-25-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)
InChIKeyPTSVOXYNVIPTEJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.49
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 49356434) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID49356434
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1nccs1
InChIInChI=1S/C18H18N4O2S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)17(23)18(24)20-9-8-15-19-10-11-25-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)
InChIKeyPTSVOXYNVIPTEJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
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CID 86825790
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
CID 42575957
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55722123
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-oxoacetamide
CID 30710069
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 49356434) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1nccs1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is PTSVOXYNVIPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)17(23)18(24)20-9-8-15-19-10-11-25-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,24).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 49356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).