1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C14H19N3O — CID 106695553

IUPAC1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C14H19N3O/c1-3-12-8-13(17(2)16-12)9-14(18)10-4-6-11(15)7-5-10/h4-8,14,18H,3,9,15H2,1-2H3
InChIKeyFTNXXHTXKDZZJR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 106695553) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID106695553
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C14H19N3O/c1-3-12-8-13(17(2)16-12)9-14(18)10-4-6-11(15)7-5-10/h4-8,14,18H,3,9,15H2,1-2H3
InChIKeyFTNXXHTXKDZZJR-UHFFFAOYSA-N
XLogP1.84
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.84
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-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107969731
1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813604
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1,2-bis(3-ethyl-1-methylpyrazol-5-yl)ethylhydrazine
CID 105317064
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(furan-3-yl)ethyl]hydrazine
CID 105221468

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 106695553) is 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2ccc(N)cc2)n(C)n1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is FTNXXHTXKDZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-12-8-13(17(2)16-12)9-14(18)10-4-6-11(15)7-5-10/h4-8,14,18H,3,9,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 106695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).