3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole

C13H15FN2S — CID 142566335

IUPAC3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
SMILESCSc1cn(C(C)C)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-9(2)16-8-12(17-3)13(15-16)10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKeyZHCBYYWBLLLEIH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.99
Rot. Bonds3

About 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole

3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole (PubChem CID 142566335) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
PubChem CID142566335
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
SMILESCSc1cn(C(C)C)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-9(2)16-8-12(17-3)13(15-16)10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKeyZHCBYYWBLLLEIH-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine
CID 155449738
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62019586
4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
CID 142566344
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 142566374
4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
CID 142646887
3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole
CID 142566148
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 176859886
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 114560401
5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219797
4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole
CID 142566060

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole (CID 142566335) is 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole is CSc1cn(C(C)C)nc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole?
The InChIKey is ZHCBYYWBLLLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(2)16-8-12(17-3)13(15-16)10-6-4-5-7-11(10)14/h4-9H,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole?
3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole has a molecular weight of 250.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).