1-(5,5-difluorohexyl)pyrazol-4-amine

C9H15F2N3 — CID 66929172

IUPAC1-(5,5-difluorohexyl)pyrazol-4-amine
SMILESCC(F)(F)CCCCn1cc(N)cn1
InChIInChI=1S/C9H15F2N3/c1-9(10,11)4-2-3-5-14-7-8(12)6-13-14/h6-7H,2-5,12H2,1H3
InChIKeyMANGTNUPNSYJOR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.29
Rot. Bonds5

About 1-(5,5-difluorohexyl)pyrazol-4-amine

1-(5,5-difluorohexyl)pyrazol-4-amine (PubChem CID 66929172) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(5,5-difluorohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(5,5-difluorohexyl)pyrazol-4-amine
PubChem CID66929172
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-(5,5-difluorohexyl)pyrazol-4-amine
SMILESCC(F)(F)CCCCn1cc(N)cn1
InChIInChI=1S/C9H15F2N3/c1-9(10,11)4-2-3-5-14-7-8(12)6-13-14/h6-7H,2-5,12H2,1H3
InChIKeyMANGTNUPNSYJOR-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-4-amine?
The IUPAC name of 1-(5,5-difluorohexyl)pyrazol-4-amine (CID 66929172) is 1-(5,5-difluorohexyl)pyrazol-4-amine.
What is the SMILES notation for 1-(5,5-difluorohexyl)pyrazol-4-amine?
The canonical SMILES for 1-(5,5-difluorohexyl)pyrazol-4-amine is CC(F)(F)CCCCn1cc(N)cn1.
What is the InChIKey of 1-(5,5-difluorohexyl)pyrazol-4-amine?
The InChIKey is MANGTNUPNSYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-9(10,11)4-2-3-5-14-7-8(12)6-13-14/h6-7H,2-5,12H2,1H3.
What are the key properties of 1-(5,5-difluorohexyl)pyrazol-4-amine?
1-(5,5-difluorohexyl)pyrazol-4-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-4-amine is sourced from PubChem (CID 66929172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).