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

C14H18FN3O — CID 107715491

IUPAC3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccnn1C)c1ccc(O)cc1F
InChIInChI=1S/C14H18FN3O/c1-10(13-4-3-12(19)9-14(13)15)16-7-5-11-6-8-17-18(11)2/h3-4,6,8-10,16,19H,5,7H2,1-2H3
InChIKeyNFHLFEGYLXTYRP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.16
Rot. Bonds5

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

3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol (PubChem CID 107715491) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
PubChem CID107715491
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccnn1C)c1ccc(O)cc1F
InChIInChI=1S/C14H18FN3O/c1-10(13-4-3-12(19)9-14(13)15)16-7-5-11-6-8-17-18(11)2/h3-4,6,8-10,16,19H,5,7H2,1-2H3
InChIKeyNFHLFEGYLXTYRP-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 107715132
3-fluoro-4-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 107715270
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678259
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol (CID 107715491) is 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol is CC(NCCc1ccnn1C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol?
The InChIKey is NFHLFEGYLXTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(13-4-3-12(19)9-14(13)15)16-7-5-11-6-8-17-18(11)2/h3-4,6,8-10,16,19H,5,7H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol?
3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol has a molecular weight of 263.32 g/mol, XLogP of 2.16, 5 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-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 107715491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).