1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol

C15H28N2O4 — CID 104566990

IUPAC1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
SMILESCCCCOCCOCCOCCn1cc(C(C)O)cn1
InChIInChI=1S/C15H28N2O4/c1-3-4-6-19-8-10-21-11-9-20-7-5-17-13-15(12-16-17)14(2)18/h12-14,18H,3-11H2,1-2H3
InChIKeyPOJRHPAYXWNGCM-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds13

About 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol

1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol (PubChem CID 104566990) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
PubChem CID104566990
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
SMILESCCCCOCCOCCOCCn1cc(C(C)O)cn1
InChIInChI=1S/C15H28N2O4/c1-3-4-6-19-8-10-21-11-9-20-7-5-17-13-15(12-16-17)14(2)18/h12-14,18H,3-11H2,1-2H3
InChIKeyPOJRHPAYXWNGCM-UHFFFAOYSA-N
XLogP1.79
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
CID 146261363
1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
CID 103412839
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
CID 103572850
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol (CID 104566990) is 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol is CCCCOCCOCCOCCn1cc(C(C)O)cn1.
What is the InChIKey of 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol?
The InChIKey is POJRHPAYXWNGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-4-6-19-8-10-21-11-9-20-7-5-17-13-15(12-16-17)14(2)18/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol?
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol has a molecular weight of 300.40 g/mol, XLogP of 1.79, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 104566990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).