(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone

C17H14N2OS — CID 107331845

IUPAC(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCSc1ccccc1C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-21-16-10-6-5-9-14(16)17(20)15-11-12-18-19(15)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyRXTXHCYBWYEHTG-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.83
Rot. Bonds4

About (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone

(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107331845) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107331845
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCSc1ccccc1C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-21-16-10-6-5-9-14(16)17(20)15-11-12-18-19(15)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyRXTXHCYBWYEHTG-UHFFFAOYSA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107331845) is (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone is CSc1ccccc1C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is RXTXHCYBWYEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-21-16-10-6-5-9-14(16)17(20)15-11-12-18-19(15)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone?
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 294.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107331845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).