3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile

C11H9FN4 — CID 10512886

IUPAC3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccc(F)cc2)c1C#N
InChIInChI=1S/C11H9FN4/c1-7-10(6-13)11(16-15-7)14-9-4-2-8(12)3-5-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyLFNMALZHZARSHZ-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.47
Rot. Bonds2

About 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile

3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile (PubChem CID 10512886) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile
PubChem CID10512886
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccc(F)cc2)c1C#N
InChIInChI=1S/C11H9FN4/c1-7-10(6-13)11(16-15-7)14-9-4-2-8(12)3-5-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyLFNMALZHZARSHZ-UHFFFAOYSA-N
XLogP2.47
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile (CID 10512886) is 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile is Cc1[nH]nc(Nc2ccc(F)cc2)c1C#N.
What is the InChIKey of 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The InChIKey is LFNMALZHZARSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c1-7-10(6-13)11(16-15-7)14-9-4-2-8(12)3-5-9/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile has a molecular weight of 216.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-5-methyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10512886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).