2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol

C10H17F2N3O2 — CID 113462744

IUPAC2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCOc1c(CNCC(F)(F)CO)c(C)nn1C
InChIInChI=1S/C10H17F2N3O2/c1-7-8(9(17-3)15(2)14-7)4-13-5-10(11,12)6-16/h13,16H,4-6H2,1-3H3
InChIKeyNLJMPIKFPXXYIV-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.45
Rot. Bonds6

About 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 113462744) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID113462744
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCOc1c(CNCC(F)(F)CO)c(C)nn1C
InChIInChI=1S/C10H17F2N3O2/c1-7-8(9(17-3)15(2)14-7)4-13-5-10(11,12)6-16/h13,16H,4-6H2,1-3H3
InChIKeyNLJMPIKFPXXYIV-UHFFFAOYSA-N
XLogP0.45
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol (CID 113462744) is 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol is COc1c(CNCC(F)(F)CO)c(C)nn1C.
What is the InChIKey of 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is NLJMPIKFPXXYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-7-8(9(17-3)15(2)14-7)4-13-5-10(11,12)6-16/h13,16H,4-6H2,1-3H3.
What are the key properties of 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 249.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 113462744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).