1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

C18H26N2O — CID 80998222

IUPAC1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCCc1cc(COc2cc(C(C)C)ccc2C)n(CC)n1
InChIInChI=1S/C18H26N2O/c1-6-16-11-17(20(7-2)19-16)12-21-18-10-15(13(3)4)9-8-14(18)5/h8-11,13H,6-7,12H2,1-5H3
InChIKeyFOMGLGMVTLPITD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.48
Rot. Bonds6

About 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (PubChem CID 80998222) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
PubChem CID80998222
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCCc1cc(COc2cc(C(C)C)ccc2C)n(CC)n1
InChIInChI=1S/C18H26N2O/c1-6-16-11-17(20(7-2)19-16)12-21-18-10-15(13(3)4)9-8-14(18)5/h8-11,13H,6-7,12H2,1-5H3
InChIKeyFOMGLGMVTLPITD-UHFFFAOYSA-N
XLogP4.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
CID 55390454
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 78959342
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The IUPAC name of 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (CID 80998222) is 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The canonical SMILES for 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is CCc1cc(COc2cc(C(C)C)ccc2C)n(CC)n1.
What is the InChIKey of 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The InChIKey is FOMGLGMVTLPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-16-11-17(20(7-2)19-16)12-21-18-10-15(13(3)4)9-8-14(18)5/h8-11,13H,6-7,12H2,1-5H3.
What are the key properties of 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole has a molecular weight of 286.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is sourced from PubChem (CID 80998222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).