3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine

C11H12F2N4O — CID 114274080

IUPAC3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine
SMILESCC(C)Oc1cnn(-c2nc(N)c(F)cc2F)c1
InChIInChI=1S/C11H12F2N4O/c1-6(2)18-7-4-15-17(5-7)11-9(13)3-8(12)10(14)16-11/h3-6H,1-2H3,(H2,14,16)
InChIKeyJSOJBNBLIOXBKP-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.91
Rot. Bonds3

About 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine

3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine (PubChem CID 114274080) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine
PubChem CID114274080
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine
SMILESCC(C)Oc1cnn(-c2nc(N)c(F)cc2F)c1
InChIInChI=1S/C11H12F2N4O/c1-6(2)18-7-4-15-17(5-7)11-9(13)3-8(12)10(14)16-11/h3-6H,1-2H3,(H2,14,16)
InChIKeyJSOJBNBLIOXBKP-UHFFFAOYSA-N
XLogP1.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine (CID 114274080) is 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine is CC(C)Oc1cnn(-c2nc(N)c(F)cc2F)c1.
What is the InChIKey of 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine?
The InChIKey is JSOJBNBLIOXBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6(2)18-7-4-15-17(5-7)11-9(13)3-8(12)10(14)16-11/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine?
3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine has a molecular weight of 254.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-(4-propan-2-yloxypyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 114274080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).