5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile

C11H9FN4O — CID 67120043

IUPAC5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(O)cc2F)c(N)c1C#N
InChIInChI=1S/C11H9FN4O/c1-6-8(5-13)11(14)16(15-6)10-3-2-7(17)4-9(10)12/h2-4,17H,14H2,1H3
InChIKeyUDUCKDORUNZHLG-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.48
Rot. Bonds1

About 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile

5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 67120043) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile
PubChem CID67120043
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(O)cc2F)c(N)c1C#N
InChIInChI=1S/C11H9FN4O/c1-6-8(5-13)11(14)16(15-6)10-3-2-7(17)4-9(10)12/h2-4,17H,14H2,1H3
InChIKeyUDUCKDORUNZHLG-UHFFFAOYSA-N
XLogP1.48
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile (CID 67120043) is 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile is Cc1nn(-c2ccc(O)cc2F)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is UDUCKDORUNZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c1-6-8(5-13)11(14)16(15-6)10-3-2-7(17)4-9(10)12/h2-4,17H,14H2,1H3.
What are the key properties of 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile?
5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 232.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 67120043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).