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

C10H17F2N3O — CID 103787961

IUPAC3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)cc1C(C)NCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-6(13-4-9(16)10(11)12)8-5-15(3)14-7(8)2/h5-6,9-10,13,16H,4H2,1-3H3
InChIKeyVFQVCVLWWPJWDV-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.01
Rot. Bonds5

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

3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol (PubChem CID 103787961) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
PubChem CID103787961
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)cc1C(C)NCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-6(13-4-9(16)10(11)12)8-5-15(3)14-7(8)2/h5-6,9-10,13,16H,4H2,1-3H3
InChIKeyVFQVCVLWWPJWDV-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol (CID 103787961) is 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol is Cc1nn(C)cc1C(C)NCC(O)C(F)F.
What is the InChIKey of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol?
The InChIKey is VFQVCVLWWPJWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-6(13-4-9(16)10(11)12)8-5-15(3)14-7(8)2/h5-6,9-10,13,16H,4H2,1-3H3.
What are the key properties of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol?
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103787961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).