1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine

C8H13F2N3O — CID 145427926

IUPAC1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine
SMILESCC(C)Oc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-5(2)14-8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3
InChIKeyLLXLYBBZWXMGRY-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.52
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine

1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine (PubChem CID 145427926) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine
PubChem CID145427926
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine
SMILESCC(C)Oc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-5(2)14-8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3
InChIKeyLLXLYBBZWXMGRY-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine (CID 145427926) is 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine is CC(C)Oc1nn(CC(F)F)cc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine?
The InChIKey is LLXLYBBZWXMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5(2)14-8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine?
1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine has a molecular weight of 205.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-yloxypyrazol-4-amine is sourced from PubChem (CID 145427926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).