1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine

C10H15F2N3O — CID 135374368

IUPAC1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine
SMILESCOC(F)(F)C1CC(n2ncc(N)c2C)C1
InChIInChI=1S/C10H15F2N3O/c1-6-9(13)5-14-15(6)8-3-7(4-8)10(11,12)16-2/h5,7-8H,3-4,13H2,1-2H3
InChIKeyBEAFDIIGDWGISU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.96
Rot. Bonds3

About 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine

1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine (PubChem CID 135374368) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine
PubChem CID135374368
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine
SMILESCOC(F)(F)C1CC(n2ncc(N)c2C)C1
InChIInChI=1S/C10H15F2N3O/c1-6-9(13)5-14-15(6)8-3-7(4-8)10(11,12)16-2/h5,7-8H,3-4,13H2,1-2H3
InChIKeyBEAFDIIGDWGISU-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine (CID 135374368) is 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine is COC(F)(F)C1CC(n2ncc(N)c2C)C1.
What is the InChIKey of 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine?
The InChIKey is BEAFDIIGDWGISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-6-9(13)5-14-15(6)8-3-7(4-8)10(11,12)16-2/h5,7-8H,3-4,13H2,1-2H3.
What are the key properties of 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine?
1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[difluoro(methoxy)methyl]cyclobutyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 135374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).