1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine

C10H12F5N3O — CID 157042125

IUPAC1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESCOC1CC(n2nc(N)cc2C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H12F5N3O/c1-19-6-2-5(3-6)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4-6H,2-3H2,1H3,(H2,16,17)
InChIKeyYIWFNRJICXKPEH-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.47
Rot. Bonds3

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

1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (PubChem CID 157042125) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
PubChem CID157042125
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESCOC1CC(n2nc(N)cc2C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H12F5N3O/c1-19-6-2-5(3-6)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4-6H,2-3H2,1H3,(H2,16,17)
InChIKeyYIWFNRJICXKPEH-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.47
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-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (CID 157042125) is 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is COC1CC(n2nc(N)cc2C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The InChIKey is YIWFNRJICXKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-19-6-2-5(3-6)18-7(4-8(16)17-18)9(11,12)10(13,14)15/h4-6H,2-3H2,1H3,(H2,16,17).
What are the key properties of 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine has a molecular weight of 285.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 157042125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).