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

C15H19F2N3O — CID 109482192

IUPAC1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(C)cc1CNC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-9-12(8-20(3)19-9)7-18-10(2)15(21)11-4-5-13(16)14(17)6-11/h4-6,8,10,15,18,21H,7H2,1-3H3
InChIKeyJYUVOPDNHLEHMU-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.22
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 109482192) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID109482192
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCc1nn(C)cc1CNC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-9-12(8-20(3)19-9)7-18-10(2)15(21)11-4-5-13(16)14(17)6-11/h4-6,8,10,15,18,21H,7H2,1-3H3
InChIKeyJYUVOPDNHLEHMU-UHFFFAOYSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676
1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 109481916
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 111753643
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 115989337
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol (CID 109482192) is 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol is Cc1nn(C)cc1CNC(C)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is JYUVOPDNHLEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-9-12(8-20(3)19-9)7-18-10(2)15(21)11-4-5-13(16)14(17)6-11/h4-6,8,10,15,18,21H,7H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol?
1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 295.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 109482192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).