1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

C9H15F2N3O — CID 107093767

IUPAC1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccnn1C
InChIInChI=1S/C9H15F2N3O/c1-6(7-3-4-13-14(7)2)12-5-8(15)9(10)11/h3-4,6,8-9,12,15H,5H2,1-2H3
InChIKeyVQPIPZREWIXCLV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.70
Rot. Bonds5

About 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (PubChem CID 107093767) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
PubChem CID107093767
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1ccnn1C
InChIInChI=1S/C9H15F2N3O/c1-6(7-3-4-13-14(7)2)12-5-8(15)9(10)11/h3-4,6,8-9,12,15H,5H2,1-2H3
InChIKeyVQPIPZREWIXCLV-UHFFFAOYSA-N
XLogP0.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (CID 107093767) is 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)F)c1ccnn1C.
What is the InChIKey of 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is VQPIPZREWIXCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-6(7-3-4-13-14(7)2)12-5-8(15)9(10)11/h3-4,6,8-9,12,15H,5H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 107093767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).