2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol

C15H20FN3O2 — CID 83986689

IUPAC2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCOc1ccc(C(CN)c2cc(C)nn2CCO)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-7-14(19(18-10)5-6-20)12(9-17)11-3-4-15(21-2)13(16)8-11/h3-4,7-8,12,20H,5-6,9,17H2,1-2H3
InChIKeyMWUMJFLGQYVGFB-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.42
Rot. Bonds6

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

2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 83986689) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID83986689
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCOc1ccc(C(CN)c2cc(C)nn2CCO)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-7-14(19(18-10)5-6-20)12(9-17)11-3-4-15(21-2)13(16)8-11/h3-4,7-8,12,20H,5-6,9,17H2,1-2H3
InChIKeyMWUMJFLGQYVGFB-UHFFFAOYSA-N
XLogP1.42
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986670
2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986534
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (CID 83986689) is 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is COc1ccc(C(CN)c2cc(C)nn2CCO)cc1F.
What is the InChIKey of 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is MWUMJFLGQYVGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-7-14(19(18-10)5-6-20)12(9-17)11-3-4-15(21-2)13(16)8-11/h3-4,7-8,12,20H,5-6,9,17H2,1-2H3.
What are the key properties of 2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 293.34 g/mol, XLogP of 1.42, 6 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-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 83986689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).