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

C15H20N2O — CID 103016128

IUPAC1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
SMILESCC(C)c1ccccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-12(2)14-6-4-5-7-15(14)18-9-8-13-10-16-17(3)11-13/h4-7,10-12H,8-9H2,1-3H3
InChIKeyYRHALQDPAVIYSQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.16
Rot. Bonds5

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

1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole (PubChem CID 103016128) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
PubChem CID103016128
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
SMILESCC(C)c1ccccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-12(2)14-6-4-5-7-15(14)18-9-8-13-10-16-17(3)11-13/h4-7,10-12H,8-9H2,1-3H3
InChIKeyYRHALQDPAVIYSQ-UHFFFAOYSA-N
XLogP3.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012935
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999718
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 102999720
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60883036
4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999740
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole?
The IUPAC name of 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole (CID 103016128) is 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole?
The canonical SMILES for 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole is CC(C)c1ccccc1OCCc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole?
The InChIKey is YRHALQDPAVIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)14-6-4-5-7-15(14)18-9-8-13-10-16-17(3)11-13/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole?
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole is sourced from PubChem (CID 103016128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).