1-methyl-4-(2-propoxyethoxy)pyrazole

C9H16N2O2 — CID 106458442

IUPAC1-methyl-4-(2-propoxyethoxy)pyrazole
SMILESCCCOCCOc1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-3-4-12-5-6-13-9-7-10-11(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyDLHKLPOASBPSEI-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.23
Rot. Bonds6

About 1-methyl-4-(2-propoxyethoxy)pyrazole

1-methyl-4-(2-propoxyethoxy)pyrazole (PubChem CID 106458442) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methyl-4-(2-propoxyethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-propoxyethoxy)pyrazole
PubChem CID106458442
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methyl-4-(2-propoxyethoxy)pyrazole
SMILESCCCOCCOc1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-3-4-12-5-6-13-9-7-10-11(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyDLHKLPOASBPSEI-UHFFFAOYSA-N
XLogP1.23
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.23
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-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
4-propoxy-1-propylpyrazole
CID 116805185
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685973
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
1-(1-methylpyrazol-4-yl)-3-propoxypropan-1-one
CID 105082295
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propoxyethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(2-propoxyethoxy)pyrazole (CID 106458442) is 1-methyl-4-(2-propoxyethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-propoxyethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(2-propoxyethoxy)pyrazole is CCCOCCOc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-(2-propoxyethoxy)pyrazole?
The InChIKey is DLHKLPOASBPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-12-5-6-13-9-7-10-11(2)8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2-propoxyethoxy)pyrazole?
1-methyl-4-(2-propoxyethoxy)pyrazole has a molecular weight of 184.24 g/mol, XLogP of 1.23, 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-propoxyethoxy)pyrazole is sourced from PubChem (CID 106458442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).