1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine

C8H11F4N3O — CID 43554481

IUPAC1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)C(F)F)c1N
InChIInChI=1S/C8H11F4N3O/c1-4-5(13)6(15(2)14-4)16-3-8(11,12)7(9)10/h7H,3,13H2,1-2H3
InChIKeyFZVLKCOERYWBPF-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.59
Rot. Bonds4

About 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine

1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine (PubChem CID 43554481) has the molecular formula C8H11F4N3O and a molecular weight of 241.19 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine
PubChem CID43554481
Molecular FormulaC8H11F4N3O
Molecular Weight241.19 g/mol
Exact Mass241.08
IUPAC Name1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)C(F)F)c1N
InChIInChI=1S/C8H11F4N3O/c1-4-5(13)6(15(2)14-4)16-3-8(11,12)7(9)10/h7H,3,13H2,1-2H3
InChIKeyFZVLKCOERYWBPF-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.59
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-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine (CID 43554481) is 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine is Cc1nn(C)c(OCC(F)(F)C(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine?
The InChIKey is FZVLKCOERYWBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3O/c1-4-5(13)6(15(2)14-4)16-3-8(11,12)7(9)10/h7H,3,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine?
1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine has a molecular weight of 241.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-4-amine is sourced from PubChem (CID 43554481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).