2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

C11H19F2N3O — CID 104857528

IUPAC2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nn(C)cc1CNCC(F)(F)CO
InChIInChI=1S/C11H19F2N3O/c1-8(2)10-9(5-16(3)15-10)4-14-6-11(12,13)7-17/h5,8,14,17H,4,6-7H2,1-3H3
InChIKeyPMRAIOROMKBFIW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.26
Rot. Bonds6

About 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 104857528) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID104857528
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nn(C)cc1CNCC(F)(F)CO
InChIInChI=1S/C11H19F2N3O/c1-8(2)10-9(5-16(3)15-10)4-14-6-11(12,13)7-17/h5,8,14,17H,4,6-7H2,1-3H3
InChIKeyPMRAIOROMKBFIW-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (CID 104857528) is 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is CC(C)c1nn(C)cc1CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is PMRAIOROMKBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-8(2)10-9(5-16(3)15-10)4-14-6-11(12,13)7-17/h5,8,14,17H,4,6-7H2,1-3H3.
What are the key properties of 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 104857528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).