5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile

C11H9FN4O — CID 169121236

IUPAC5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1cc(F)ccc1-n1ncc(C#N)c1N
InChIInChI=1S/C11H9FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(14)7(5-13)6-15-16/h2-4,6H,14H2,1H3
InChIKeyQPRZVNZIXDRMGM-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.47
Rot. Bonds2

About 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile

5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile (PubChem CID 169121236) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile
PubChem CID169121236
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1cc(F)ccc1-n1ncc(C#N)c1N
InChIInChI=1S/C11H9FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(14)7(5-13)6-15-16/h2-4,6H,14H2,1H3
InChIKeyQPRZVNZIXDRMGM-UHFFFAOYSA-N
XLogP1.47
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile (CID 169121236) is 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile is COc1cc(F)ccc1-n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is QPRZVNZIXDRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(14)7(5-13)6-15-16/h2-4,6H,14H2,1H3.
What are the key properties of 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile?
5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 232.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluoro-2-methoxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 169121236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).