2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol

C15H21N3O2 — CID 45486828

IUPAC2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1cc(C)ccn1
InChIInChI=1S/C15H21N3O2/c1-4-12-15(13(5-2)18(17-12)8-9-19)20-14-10-11(3)6-7-16-14/h6-7,10,19H,4-5,8-9H2,1-3H3
InChIKeyNLCZJROOFOBIRJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol

2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol (PubChem CID 45486828) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol
PubChem CID45486828
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1Oc1cc(C)ccn1
InChIInChI=1S/C15H21N3O2/c1-4-12-15(13(5-2)18(17-12)8-9-19)20-14-10-11(3)6-7-16-14/h6-7,10,19H,4-5,8-9H2,1-3H3
InChIKeyNLCZJROOFOBIRJ-UHFFFAOYSA-N
XLogP2.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol (CID 45486828) is 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol is CCc1nn(CCO)c(CC)c1Oc1cc(C)ccn1.
What is the InChIKey of 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol?
The InChIKey is NLCZJROOFOBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12-15(13(5-2)18(17-12)8-9-19)20-14-10-11(3)6-7-16-14/h6-7,10,19H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol?
2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-4-[(4-methyl-2-pyridinyl)oxy]pyrazol-1-yl]ethanol is sourced from PubChem (CID 45486828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).