1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol

C15H19F2N3O — CID 112727185

IUPAC1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C)c(C)c1CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O/c1-9-13(10(2)20(3)19-9)7-18-8-15(21)12-5-4-11(16)6-14(12)17/h4-6,15,18,21H,7-8H2,1-3H3
InChIKeyYRBZWHNAYZBAHD-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.14
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol

1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol (PubChem CID 112727185) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
PubChem CID112727185
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C)c(C)c1CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O/c1-9-13(10(2)20(3)19-9)7-18-8-15(21)12-5-4-11(16)6-14(12)17/h4-6,15,18,21H,7-8H2,1-3H3
InChIKeyYRBZWHNAYZBAHD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2-bromo-4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78971573
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
CID 62321964
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575
1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
CID 47613350
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol (CID 112727185) is 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol is Cc1nn(C)c(C)c1CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is YRBZWHNAYZBAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-9-13(10(2)20(3)19-9)7-18-8-15(21)12-5-4-11(16)6-14(12)17/h4-6,15,18,21H,7-8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol?
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 295.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 112727185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).