3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol

C13H16FN3O — CID 107715132

IUPAC3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
SMILESCC(NCc1ccnn1C)c1ccc(O)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(12-4-3-11(18)7-13(12)14)15-8-10-5-6-16-17(10)2/h3-7,9,15,18H,8H2,1-2H3
InChIKeyFBDFTMUURNJXAV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.12
Rot. Bonds4

About 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol

3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol (PubChem CID 107715132) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
PubChem CID107715132
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
SMILESCC(NCc1ccnn1C)c1ccc(O)cc1F
InChIInChI=1S/C13H16FN3O/c1-9(12-4-3-11(18)7-13(12)14)15-8-10-5-6-16-17(10)2/h3-7,9,15,18H,8H2,1-2H3
InChIKeyFBDFTMUURNJXAV-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
CID 107715491
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63301995
(1S)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229990
(1R)-1-[2-(difluoromethoxy)-4-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 97229991
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 107715200
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol (CID 107715132) is 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol is CC(NCc1ccnn1C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol?
The InChIKey is FBDFTMUURNJXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(12-4-3-11(18)7-13(12)14)15-8-10-5-6-16-17(10)2/h3-7,9,15,18H,8H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol?
3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol has a molecular weight of 249.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 107715132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).