1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole

C16H15FN2OS — CID 155961688

IUPAC1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
SMILESCc1cc(COc2cnn(Cc3ccc(F)cc3)c2)cs1
InChIInChI=1S/C16H15FN2OS/c1-12-6-14(11-21-12)10-20-16-7-18-19(9-16)8-13-2-4-15(17)5-3-13/h2-7,9,11H,8,10H2,1H3
InChIKeyGXSZPSVEOKNJGY-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.02
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole

1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole (PubChem CID 155961688) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
PubChem CID155961688
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
SMILESCc1cc(COc2cnn(Cc3ccc(F)cc3)c2)cs1
InChIInChI=1S/C16H15FN2OS/c1-12-6-14(11-21-12)10-20-16-7-18-19(9-16)8-13-2-4-15(17)5-3-13/h2-7,9,11H,8,10H2,1H3
InChIKeyGXSZPSVEOKNJGY-UHFFFAOYSA-N
XLogP4.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole (CID 155961688) is 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole is Cc1cc(COc2cnn(Cc3ccc(F)cc3)c2)cs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The InChIKey is GXSZPSVEOKNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-12-6-14(11-21-12)10-20-16-7-18-19(9-16)8-13-2-4-15(17)5-3-13/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole has a molecular weight of 302.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole is sourced from PubChem (CID 155961688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).