1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol

C14H19N3O — CID 55055399

IUPAC1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CC(O)c2cccc(N)c2)c(C)c1C
InChIInChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-14(18)12-5-4-6-13(15)7-12/h4-7,14,18H,8,15H2,1-3H3
InChIKeyHUCJJSMYTIITMD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol

1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol (PubChem CID 55055399) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
PubChem CID55055399
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CC(O)c2cccc(N)c2)c(C)c1C
InChIInChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-14(18)12-5-4-6-13(15)7-12/h4-7,14,18H,8,15H2,1-3H3
InChIKeyHUCJJSMYTIITMD-UHFFFAOYSA-N
XLogP2.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055920
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
CID 103530992
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
(1S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylethanol
CID 40808608
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
CID 62266993
(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 100688738
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol (CID 55055399) is 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol is Cc1nn(CC(O)c2cccc(N)c2)c(C)c1C.
What is the InChIKey of 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol?
The InChIKey is HUCJJSMYTIITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-14(18)12-5-4-6-13(15)7-12/h4-7,14,18H,8,15H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol?
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 55055399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).