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

C11H8FN3 — CID 11665598

IUPAC4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
SMILESCn1cc(-c2ccc(F)cc2)c(C#N)n1
InChIInChI=1S/C11H8FN3/c1-15-7-10(11(6-13)14-15)8-2-4-9(12)5-3-8/h2-5,7H,1H3
InChIKeyQYEOSQAPZAWJKY-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.10
Rot. Bonds1

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

4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile (PubChem CID 11665598) has the molecular formula C11H8FN3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
PubChem CID11665598
Molecular FormulaC11H8FN3
Molecular Weight201.20 g/mol
Exact Mass201.07
IUPAC Name4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
SMILESCn1cc(-c2ccc(F)cc2)c(C#N)n1
InChIInChI=1S/C11H8FN3/c1-15-7-10(11(6-13)14-15)8-2-4-9(12)5-3-8/h2-5,7H,1H3
InChIKeyQYEOSQAPZAWJKY-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile (CID 11665598) is 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile is Cn1cc(-c2ccc(F)cc2)c(C#N)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is QYEOSQAPZAWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3/c1-15-7-10(11(6-13)14-15)8-2-4-9(12)5-3-8/h2-5,7H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile?
4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile has a molecular weight of 201.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 11665598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).