2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

C7H11F2N3O — CID 165462189

IUPAC2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCC(F)(F)CN)n[nH]1
InChIInChI=1S/C7H11F2N3O/c1-5-2-6(12-11-5)13-4-7(8,9)3-10/h2H,3-4,10H2,1H3,(H,11,12)
InChIKeyGFLHXRUWNRIPSI-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.69
Rot. Bonds4

About 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine

2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (PubChem CID 165462189) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
PubChem CID165462189
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
SMILESCc1cc(OCC(F)(F)CN)n[nH]1
InChIInChI=1S/C7H11F2N3O/c1-5-2-6(12-11-5)13-4-7(8,9)3-10/h2H,3-4,10H2,1H3,(H,11,12)
InChIKeyGFLHXRUWNRIPSI-UHFFFAOYSA-N
XLogP0.69
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The IUPAC name of 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine (CID 165462189) is 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is Cc1cc(OCC(F)(F)CN)n[nH]1.
What is the InChIKey of 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
The InChIKey is GFLHXRUWNRIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-5-2-6(12-11-5)13-4-7(8,9)3-10/h2H,3-4,10H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine?
2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine has a molecular weight of 191.18 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 165462189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).