2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol

C16H24N4O — CID 114555558

IUPAC2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccnn2CC)cc1
InChIInChI=1S/C16H24N4O/c1-3-19(11-12-21)15-7-5-14(6-8-15)17-13-16-9-10-18-20(16)4-2/h5-10,17,21H,3-4,11-13H2,1-2H3
InChIKeyRWTRYRXSQGEZIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds8

About 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol

2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol (PubChem CID 114555558) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
PubChem CID114555558
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2ccnn2CC)cc1
InChIInChI=1S/C16H24N4O/c1-3-19(11-12-21)15-7-5-14(6-8-15)17-13-16-9-10-18-20(16)4-2/h5-10,17,21H,3-4,11-13H2,1-2H3
InChIKeyRWTRYRXSQGEZIJ-UHFFFAOYSA-N
XLogP2.33
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol (CID 114555558) is 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol is CCN(CCO)c1ccc(NCc2ccnn2CC)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol?
The InChIKey is RWTRYRXSQGEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-19(11-12-21)15-7-5-14(6-8-15)17-13-16-9-10-18-20(16)4-2/h5-10,17,21H,3-4,11-13H2,1-2H3.
What are the key properties of 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol?
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol has a molecular weight of 288.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol is sourced from PubChem (CID 114555558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).