1-(5,5-difluorohexyl)pyrazol-3-amine

C9H15F2N3 — CID 66928304

IUPAC1-(5,5-difluorohexyl)pyrazol-3-amine
SMILESCC(F)(F)CCCCn1ccc(N)n1
InChIInChI=1S/C9H15F2N3/c1-9(10,11)5-2-3-6-14-7-4-8(12)13-14/h4,7H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyXATMUUPEHXNQIP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.29
Rot. Bonds5

About 1-(5,5-difluorohexyl)pyrazol-3-amine

1-(5,5-difluorohexyl)pyrazol-3-amine (PubChem CID 66928304) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(5,5-difluorohexyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(5,5-difluorohexyl)pyrazol-3-amine
PubChem CID66928304
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-(5,5-difluorohexyl)pyrazol-3-amine
SMILESCC(F)(F)CCCCn1ccc(N)n1
InChIInChI=1S/C9H15F2N3/c1-9(10,11)5-2-3-6-14-7-4-8(12)13-14/h4,7H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyXATMUUPEHXNQIP-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluorohexyl)pyrazol-3-amine?
The IUPAC name of 1-(5,5-difluorohexyl)pyrazol-3-amine (CID 66928304) is 1-(5,5-difluorohexyl)pyrazol-3-amine.
What is the SMILES notation for 1-(5,5-difluorohexyl)pyrazol-3-amine?
The canonical SMILES for 1-(5,5-difluorohexyl)pyrazol-3-amine is CC(F)(F)CCCCn1ccc(N)n1.
What is the InChIKey of 1-(5,5-difluorohexyl)pyrazol-3-amine?
The InChIKey is XATMUUPEHXNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-9(10,11)5-2-3-6-14-7-4-8(12)13-14/h4,7H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of 1-(5,5-difluorohexyl)pyrazol-3-amine?
1-(5,5-difluorohexyl)pyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluorohexyl)pyrazol-3-amine is sourced from PubChem (CID 66928304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).