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

C10H17F2N3O — CID 103731516

IUPAC1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-6-8(7(2)15(3)14-6)4-13-5-9(16)10(11)12/h9-10,13,16H,4-5H2,1-3H3
InChIKeyVSLJJVWHUIKEEN-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.75
Rot. Bonds5

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

1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 103731516) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID103731516
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-6-8(7(2)15(3)14-6)4-13-5-9(16)10(11)12/h9-10,13,16H,4-5H2,1-3H3
InChIKeyVSLJJVWHUIKEEN-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.75
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-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol (CID 103731516) is 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol is Cc1nn(C)c(C)c1CNCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is VSLJJVWHUIKEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-6-8(7(2)15(3)14-6)4-13-5-9(16)10(11)12/h9-10,13,16H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 0.75, 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-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).