2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol

C16H22FN3O2 — CID 83986670

IUPAC2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCCOc1ccc(C(CN)c2cc(C)nn2CCO)cc1F
InChIInChI=1S/C16H22FN3O2/c1-3-22-16-5-4-12(9-14(16)17)13(10-18)15-8-11(2)19-20(15)6-7-21/h4-5,8-9,13,21H,3,6-7,10,18H2,1-2H3
InChIKeyVDYDCKQOJHRRLI-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.81
Rot. Bonds7

About 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol

2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 83986670) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID83986670
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCCOc1ccc(C(CN)c2cc(C)nn2CCO)cc1F
InChIInChI=1S/C16H22FN3O2/c1-3-22-16-5-4-12(9-14(16)17)13(10-18)15-8-11(2)19-20(15)6-7-21/h4-5,8-9,13,21H,3,6-7,10,18H2,1-2H3
InChIKeyVDYDCKQOJHRRLI-UHFFFAOYSA-N
XLogP1.81
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986689
2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986534
2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine
CID 116833589
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987645
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
3,4-diamino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 116942807
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
CID 116907790
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (CID 83986670) is 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is CCOc1ccc(C(CN)c2cc(C)nn2CCO)cc1F.
What is the InChIKey of 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is VDYDCKQOJHRRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-3-22-16-5-4-12(9-14(16)17)13(10-18)15-8-11(2)19-20(15)6-7-21/h4-5,8-9,13,21H,3,6-7,10,18H2,1-2H3.
What are the key properties of 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 307.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 83986670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).