5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol

C14H18FN3O — CID 164630081

IUPAC5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol
SMILESCCc1nn(C)cc1N[C@@H](C)c1ccc(F)c(O)c1
InChIInChI=1S/C14H18FN3O/c1-4-12-13(8-18(3)17-12)16-9(2)10-5-6-11(15)14(19)7-10/h5-9,16,19H,4H2,1-3H3/t9-/m0/s1
InChIKeyRKPKDEHTWQTEGF-VIFPVBQESA-N
MW263.32 g/mol
LogP3.00
Rot. Bonds4

About 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol

5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol (PubChem CID 164630081) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol
PubChem CID164630081
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol
SMILESCCc1nn(C)cc1N[C@@H](C)c1ccc(F)c(O)c1
InChIInChI=1S/C14H18FN3O/c1-4-12-13(8-18(3)17-12)16-9(2)10-5-6-11(15)14(19)7-10/h5-9,16,19H,4H2,1-3H3/t9-/m0/s1
InChIKeyRKPKDEHTWQTEGF-VIFPVBQESA-N
XLogP3.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol?
The IUPAC name of 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol (CID 164630081) is 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol.
What is the SMILES notation for 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol?
The canonical SMILES for 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol is CCc1nn(C)cc1N[C@@H](C)c1ccc(F)c(O)c1.
What is the InChIKey of 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol?
The InChIKey is RKPKDEHTWQTEGF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-12-13(8-18(3)17-12)16-9(2)10-5-6-11(15)14(19)7-10/h5-9,16,19H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol?
5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol has a molecular weight of 263.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]-2-fluorophenol is sourced from PubChem (CID 164630081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).