5-(ethoxymethyl)-4-methyl-1H-pyrazole

C7H12N2O — CID 166123228

IUPAC5-(ethoxymethyl)-4-methyl-1H-pyrazole
SMILESCCOCc1[nH]ncc1C
InChIInChI=1S/C7H12N2O/c1-3-10-5-7-6(2)4-8-9-7/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyQZPNDFWYUFKXRL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.25
Rot. Bonds3

About 5-(ethoxymethyl)-4-methyl-1H-pyrazole

5-(ethoxymethyl)-4-methyl-1H-pyrazole (PubChem CID 166123228) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-(ethoxymethyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-4-methyl-1H-pyrazole
PubChem CID166123228
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-(ethoxymethyl)-4-methyl-1H-pyrazole
SMILESCCOCc1[nH]ncc1C
InChIInChI=1S/C7H12N2O/c1-3-10-5-7-6(2)4-8-9-7/h4H,3,5H2,1-2H3,(H,8,9)
InChIKeyQZPNDFWYUFKXRL-UHFFFAOYSA-N
XLogP1.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(ethoxymethyl)-4-methyl-1H-pyrazole (CID 166123228) is 5-(ethoxymethyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(ethoxymethyl)-4-methyl-1H-pyrazole is CCOCc1[nH]ncc1C.
What is the InChIKey of 5-(ethoxymethyl)-4-methyl-1H-pyrazole?
The InChIKey is QZPNDFWYUFKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-10-5-7-6(2)4-8-9-7/h4H,3,5H2,1-2H3,(H,8,9).
What are the key properties of 5-(ethoxymethyl)-4-methyl-1H-pyrazole?
5-(ethoxymethyl)-4-methyl-1H-pyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 166123228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).