2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone

C15H14N4OS — CID 75464250

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
SMILESCn1ccnc1SCC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14N4OS/c1-18-8-7-16-15(18)21-11-14(20)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOJSFECAUJJAKBT-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.58
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone

2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 75464250) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
PubChem CID75464250
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
SMILESCn1ccnc1SCC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14N4OS/c1-18-8-7-16-15(18)21-11-14(20)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOJSFECAUJJAKBT-UHFFFAOYSA-N
XLogP2.58
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
CID 110656771
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 18075702
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone (CID 75464250) is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone is Cn1ccnc1SCC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is OJSFECAUJJAKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-18-8-7-16-15(18)21-11-14(20)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone?
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 298.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75464250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).