4-(ethoxymethyl)-1-ethyl-3-methylpyrazole

C9H16N2O — CID 7017734

IUPAC4-(ethoxymethyl)-1-ethyl-3-methylpyrazole
SMILESCCOCc1cn(CC)nc1C
InChIInChI=1S/C9H16N2O/c1-4-11-6-9(7-12-5-2)8(3)10-11/h6H,4-5,7H2,1-3H3
InChIKeyQXCXJQXTLHTPMH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.75
Rot. Bonds4

About 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole

4-(ethoxymethyl)-1-ethyl-3-methylpyrazole (PubChem CID 7017734) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-ethyl-3-methylpyrazole
PubChem CID7017734
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(ethoxymethyl)-1-ethyl-3-methylpyrazole
SMILESCCOCc1cn(CC)nc1C
InChIInChI=1S/C9H16N2O/c1-4-11-6-9(7-12-5-2)8(3)10-11/h6H,4-5,7H2,1-3H3
InChIKeyQXCXJQXTLHTPMH-UHFFFAOYSA-N
XLogP1.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole (CID 7017734) is 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole is CCOCc1cn(CC)nc1C.
What is the InChIKey of 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole?
The InChIKey is QXCXJQXTLHTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-11-6-9(7-12-5-2)8(3)10-11/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole?
4-(ethoxymethyl)-1-ethyl-3-methylpyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 7017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).