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

C15H19F2N3O2 — CID 109481916

IUPAC1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)cc1CNCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O2/c1-10-11(8-20(2)19-10)6-18-7-12(21)9-22-13-3-4-14(16)15(17)5-13/h3-5,8,12,18,21H,6-7,9H2,1-2H3
InChIKeyKHEDHRSTJQGWKM-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.54
Rot. Bonds7

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

1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 109481916) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID109481916
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1nn(C)cc1CNCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O2/c1-10-11(8-20(2)19-10)6-18-7-12(21)9-22-13-3-4-14(16)15(17)5-13/h3-5,8,12,18,21H,6-7,9H2,1-2H3
InChIKeyKHEDHRSTJQGWKM-UHFFFAOYSA-N
XLogP1.54
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 111110050
1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111104802
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
CID 109482192
1-(3,4-difluorophenoxy)-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 111104821
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 83089818

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol (CID 109481916) is 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol is Cc1nn(C)cc1CNCC(O)COc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is KHEDHRSTJQGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10-11(8-20(2)19-10)6-18-7-12(21)9-22-13-3-4-14(16)15(17)5-13/h3-5,8,12,18,21H,6-7,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 311.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 109481916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).