1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile

C11H8FN3 — CID 70834779

IUPAC1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2F)cc1C#N
InChIInChI=1S/C11H8FN3/c1-8-9(6-13)7-15(14-8)11-5-3-2-4-10(11)12/h2-5,7H,1H3
InChIKeyWGBCSBQRBABSLK-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.19
Rot. Bonds1

About 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile

1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 70834779) has the molecular formula C11H8FN3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile
PubChem CID70834779
Molecular FormulaC11H8FN3
Molecular Weight201.20 g/mol
Exact Mass201.07
IUPAC Name1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2F)cc1C#N
InChIInChI=1S/C11H8FN3/c1-8-9(6-13)7-15(14-8)11-5-3-2-4-10(11)12/h2-5,7H,1H3
InChIKeyWGBCSBQRBABSLK-UHFFFAOYSA-N
XLogP2.19
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile (CID 70834779) is 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile is Cc1nn(-c2ccccc2F)cc1C#N.
What is the InChIKey of 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is WGBCSBQRBABSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3/c1-8-9(6-13)7-15(14-8)11-5-3-2-4-10(11)12/h2-5,7H,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 201.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 70834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).