2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol

C14H19N3O2 — CID 141421970

IUPAC2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
SMILESCC(C)(C)c1ccn(-c2cncc(OCCO)c2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-4-5-17(16-13)11-8-12(10-15-9-11)19-7-6-18/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyLVQBQHLKFGOMJN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds4

About 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol

2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol (PubChem CID 141421970) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
PubChem CID141421970
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol
SMILESCC(C)(C)c1ccn(-c2cncc(OCCO)c2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-4-5-17(16-13)11-8-12(10-15-9-11)19-7-6-18/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyLVQBQHLKFGOMJN-UHFFFAOYSA-N
XLogP1.94
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
CID 141134073
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
CID 162335780
CID 162335780
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
CID 141366779
2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
CID 167839939
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
CID 141366767
2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
CID 111630051
N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
CID 122182214
3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
CID 141095327
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol (CID 141421970) is 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol is CC(C)(C)c1ccn(-c2cncc(OCCO)c2)n1.
What is the InChIKey of 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol?
The InChIKey is LVQBQHLKFGOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)13-4-5-17(16-13)11-8-12(10-15-9-11)19-7-6-18/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol?
2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 141421970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).