1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

C15H20N2O — CID 78959342

IUPAC1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCc1ccc(C(C)C)cc1OCc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-11(2)14-6-5-12(3)15(7-14)18-10-13-8-16-17(4)9-13/h5-9,11H,10H2,1-4H3
InChIKeyCYSDFFIMFIWIKH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.43
Rot. Bonds4

About 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole

1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (PubChem CID 78959342) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
PubChem CID78959342
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
SMILESCc1ccc(C(C)C)cc1OCc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-11(2)14-6-5-12(3)15(7-14)18-10-13-8-16-17(4)9-13/h5-9,11H,10H2,1-4H3
InChIKeyCYSDFFIMFIWIKH-UHFFFAOYSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-methylpyrazole
CID 62125859
(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The IUPAC name of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole (CID 78959342) is 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is Cc1ccc(C(C)C)cc1OCc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
The InChIKey is CYSDFFIMFIWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)14-6-5-12(3)15(7-14)18-10-13-8-16-17(4)9-13/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole?
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole is sourced from PubChem (CID 78959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).