4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine

C7H10BrF2N3 — CID 165479583

IUPAC4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine
SMILESCCC(F)(F)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H10BrF2N3/c1-2-7(9,10)4-13-3-5(8)6(11)12-13/h3H,2,4H2,1H3,(H2,11,12)
InChIKeyFVHIKSFECLVZCP-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.27
Rot. Bonds3

About 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine

4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine (PubChem CID 165479583) has the molecular formula C7H10BrF2N3 and a molecular weight of 254.08 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine
PubChem CID165479583
Molecular FormulaC7H10BrF2N3
Molecular Weight254.08 g/mol
Exact Mass253.00
IUPAC Name4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine
SMILESCCC(F)(F)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H10BrF2N3/c1-2-7(9,10)4-13-3-5(8)6(11)12-13/h3H,2,4H2,1H3,(H2,11,12)
InChIKeyFVHIKSFECLVZCP-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine (CID 165479583) is 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine is CCC(F)(F)Cn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine?
The InChIKey is FVHIKSFECLVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2N3/c1-2-7(9,10)4-13-3-5(8)6(11)12-13/h3H,2,4H2,1H3,(H2,11,12).
What are the key properties of 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine?
4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine has a molecular weight of 254.08 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluorobutyl)pyrazol-3-amine is sourced from PubChem (CID 165479583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).