3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol

C13H16FN3O — CID 122168551

IUPAC3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccnn2CCF)c1
InChIInChI=1S/C13H16FN3O/c14-5-7-17-12(4-6-16-17)10-15-9-11-2-1-3-13(18)8-11/h1-4,6,8,15,18H,5,7,9-10H2
InChIKeyIFRILGJRMYLAKT-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.85
Rot. Bonds6

About 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol

3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol (PubChem CID 122168551) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol
PubChem CID122168551
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol
SMILESOc1cccc(CNCc2ccnn2CCF)c1
InChIInChI=1S/C13H16FN3O/c14-5-7-17-12(4-6-16-17)10-15-9-11-2-1-3-13(18)8-11/h1-4,6,8,15,18H,5,7,9-10H2
InChIKeyIFRILGJRMYLAKT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166741
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126965966
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
CID 122167447
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166846
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166954
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
CID 55087063
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol?
The IUPAC name of 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol (CID 122168551) is 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol?
The canonical SMILES for 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol is Oc1cccc(CNCc2ccnn2CCF)c1.
What is the InChIKey of 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol?
The InChIKey is IFRILGJRMYLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-5-7-17-12(4-6-16-17)10-15-9-11-2-1-3-13(18)8-11/h1-4,6,8,15,18H,5,7,9-10H2.
What are the key properties of 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol?
3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol has a molecular weight of 249.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol is sourced from PubChem (CID 122168551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).