1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole

C10H18N2O2 — CID 106458443

IUPAC1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
SMILESCC(C)COCCOc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-9(2)8-13-4-5-14-10-6-11-12(3)7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNQVJKUWMCIDSKT-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.47
Rot. Bonds6

About 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole

1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole (PubChem CID 106458443) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
PubChem CID106458443
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
SMILESCC(C)COCCOc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-9(2)8-13-4-5-14-10-6-11-12(3)7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNQVJKUWMCIDSKT-UHFFFAOYSA-N
XLogP1.47
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
2-fluoro-5-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106459965
2-fluoro-4-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106447528
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole?
The IUPAC name of 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole (CID 106458443) is 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole?
The canonical SMILES for 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole is CC(C)COCCOc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole?
The InChIKey is NQVJKUWMCIDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)8-13-4-5-14-10-6-11-12(3)7-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole?
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole has a molecular weight of 198.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole is sourced from PubChem (CID 106458443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).