1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C13H16FN3O — CID 60899710

IUPAC1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1F)Cn1cccn1
InChIInChI=1S/C13H16FN3O/c14-13-5-2-1-4-11(13)8-15-9-12(18)10-17-7-3-6-16-17/h1-7,12,15,18H,8-10H2
InChIKeyUSLPPFMZZIQQOX-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.17
Rot. Bonds6

About 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60899710) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60899710
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1F)Cn1cccn1
InChIInChI=1S/C13H16FN3O/c14-13-5-2-1-4-11(13)8-15-9-12(18)10-17-7-3-6-16-17/h1-7,12,15,18H,8-10H2
InChIKeyUSLPPFMZZIQQOX-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 60899710) is 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol is OC(CNCc1ccccc1F)Cn1cccn1.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is USLPPFMZZIQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-13-5-2-1-4-11(13)8-15-9-12(18)10-17-7-3-6-16-17/h1-7,12,15,18H,8-10H2.
What are the key properties of 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 249.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60899710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).