1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine

C10H14F5N3O — CID 157041834

IUPAC1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESCCC(COC)n1nc(N)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N3O/c1-3-6(5-19-2)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4,6H,3,5H2,1-2H3,(H2,16,17)
InChIKeyWDZKYFDLLCEKDN-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.72
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine

1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (PubChem CID 157041834) has the molecular formula C10H14F5N3O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
PubChem CID157041834
Molecular FormulaC10H14F5N3O
Molecular Weight287.23 g/mol
Exact Mass287.11
IUPAC Name1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESCCC(COC)n1nc(N)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N3O/c1-3-6(5-19-2)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4,6H,3,5H2,1-2H3,(H2,16,17)
InChIKeyWDZKYFDLLCEKDN-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (CID 157041834) is 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is CCC(COC)n1nc(N)cc1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The InChIKey is WDZKYFDLLCEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5N3O/c1-3-6(5-19-2)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4,6H,3,5H2,1-2H3,(H2,16,17).
What are the key properties of 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine has a molecular weight of 287.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 157041834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).