5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole

C11H16N4O2 — CID 123862740

IUPAC5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole
SMILESCCOc1cc(C)nn1COc1cn[nH]c1C
InChIInChI=1S/C11H16N4O2/c1-4-16-11-5-8(2)14-15(11)7-17-10-6-12-13-9(10)3/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyQKNHPZWCNKGDHK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.66
Rot. Bonds5

About 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole

5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole (PubChem CID 123862740) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole
PubChem CID123862740
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole
SMILESCCOc1cc(C)nn1COc1cn[nH]c1C
InChIInChI=1S/C11H16N4O2/c1-4-16-11-5-8(2)14-15(11)7-17-10-6-12-13-9(10)3/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyQKNHPZWCNKGDHK-UHFFFAOYSA-N
XLogP1.66
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole?
The IUPAC name of 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole (CID 123862740) is 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole.
What is the SMILES notation for 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole?
The canonical SMILES for 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole is CCOc1cc(C)nn1COc1cn[nH]c1C.
What is the InChIKey of 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole?
The InChIKey is QKNHPZWCNKGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-16-11-5-8(2)14-15(11)7-17-10-6-12-13-9(10)3/h5-6H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole?
5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole has a molecular weight of 236.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole is sourced from PubChem (CID 123862740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).