3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

C9H15F2N3O — CID 103851933

IUPAC3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)cc1CNCC(O)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-6-7(5-14(2)13-6)3-12-4-8(15)9(10)11/h5,8-9,12,15H,3-4H2,1-2H3
InChIKeyBRFUFDWVWXYUKX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.44
Rot. Bonds5

About 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103851933) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103851933
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)cc1CNCC(O)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-6-7(5-14(2)13-6)3-12-4-8(15)9(10)11/h5,8-9,12,15H,3-4H2,1-2H3
InChIKeyBRFUFDWVWXYUKX-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103851933) is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is Cc1nn(C)cc1CNCC(O)C(F)F.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is BRFUFDWVWXYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-6-7(5-14(2)13-6)3-12-4-8(15)9(10)11/h5,8-9,12,15H,3-4H2,1-2H3.
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103851933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).