4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol

C13H16FN3O — CID 107715487

IUPAC4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
SMILESCc1nn(C)cc1NC(C)c1ccc(O)cc1F
InChIInChI=1S/C13H16FN3O/c1-8(11-5-4-10(18)6-12(11)14)15-13-7-17(3)16-9(13)2/h4-8,15,18H,1-3H3
InChIKeyQEYCKFUXOQCKHV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.75
Rot. Bonds3

About 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol

4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol (PubChem CID 107715487) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
PubChem CID107715487
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
SMILESCc1nn(C)cc1NC(C)c1ccc(O)cc1F
InChIInChI=1S/C13H16FN3O/c1-8(11-5-4-10(18)6-12(11)14)15-13-7-17(3)16-9(13)2/h4-8,15,18H,1-3H3
InChIKeyQEYCKFUXOQCKHV-UHFFFAOYSA-N
XLogP2.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol (CID 107715487) is 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol is Cc1nn(C)cc1NC(C)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol?
The InChIKey is QEYCKFUXOQCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(11-5-4-10(18)6-12(11)14)15-13-7-17(3)16-9(13)2/h4-8,15,18H,1-3H3.
What are the key properties of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol?
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol has a molecular weight of 249.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).