1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole

C15H19FN2S — CID 153073790

IUPAC1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole
SMILESCSC(C)(C)Cc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN2S/c1-15(2,19-3)8-13-9-17-18(11-13)10-12-4-6-14(16)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyVLWOGOBDRNNWSL-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.75
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole

1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole (PubChem CID 153073790) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole
PubChem CID153073790
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole
SMILESCSC(C)(C)Cc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN2S/c1-15(2,19-3)8-13-9-17-18(11-13)10-12-4-6-14(16)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyVLWOGOBDRNNWSL-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole (CID 153073790) is 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole is CSC(C)(C)Cc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole?
The InChIKey is VLWOGOBDRNNWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-15(2,19-3)8-13-9-17-18(11-13)10-12-4-6-14(16)7-5-12/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole?
1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole has a molecular weight of 278.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-2-methylsulfanylpropyl)pyrazole is sourced from PubChem (CID 153073790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).