1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol

C12H15N3O — CID 115111899

IUPAC1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3O/c1-8(16)9-5-3-4-6-10(9)11-7-12(13)15(2)14-11/h3-8,16H,13H2,1-2H3
InChIKeyZAQXMDISGNDLGG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds2

About 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol

1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol (PubChem CID 115111899) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
PubChem CID115111899
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3O/c1-8(16)9-5-3-4-6-10(9)11-7-12(13)15(2)14-11/h3-8,16H,13H2,1-2H3
InChIKeyZAQXMDISGNDLGG-UHFFFAOYSA-N
XLogP1.72
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
CID 115111918
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333
3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117350766
3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376795
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
CID 117355382
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol (CID 115111899) is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol is CC(O)c1ccccc1-c1cc(N)n(C)n1.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol?
The InChIKey is ZAQXMDISGNDLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(16)9-5-3-4-6-10(9)11-7-12(13)15(2)14-11/h3-8,16H,13H2,1-2H3.
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol?
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol is sourced from PubChem (CID 115111899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).