5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile

C13H13FN4O — CID 58110911

IUPAC5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
SMILESCC(C)Oc1cc(F)ccc1-n1ncc(C#N)c1N
InChIInChI=1S/C13H13FN4O/c1-8(2)19-12-5-10(14)3-4-11(12)18-13(16)9(6-15)7-17-18/h3-5,7-8H,16H2,1-2H3
InChIKeyOEHSZGYESVWPEI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.25
Rot. Bonds3

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

5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile (PubChem CID 58110911) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
PubChem CID58110911
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
SMILESCC(C)Oc1cc(F)ccc1-n1ncc(C#N)c1N
InChIInChI=1S/C13H13FN4O/c1-8(2)19-12-5-10(14)3-4-11(12)18-13(16)9(6-15)7-17-18/h3-5,7-8H,16H2,1-2H3
InChIKeyOEHSZGYESVWPEI-UHFFFAOYSA-N
XLogP2.25
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.25
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-propan-2-yloxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile (CID 58110911) is 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile is CC(C)Oc1cc(F)ccc1-n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is OEHSZGYESVWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8(2)19-12-5-10(14)3-4-11(12)18-13(16)9(6-15)7-17-18/h3-5,7-8H,16H2,1-2H3.
What are the key properties of 5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile?
5-amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 260.27 g/mol, XLogP of 2.25, 3 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-propan-2-yloxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 58110911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).