1-(2,5-diethoxyphenyl)-3-methylpyrazole

C14H18N2O2 — CID 118271097

IUPAC1-(2,5-diethoxyphenyl)-3-methylpyrazole
SMILESCCOc1ccc(OCC)c(-n2ccc(C)n2)c1
InChIInChI=1S/C14H18N2O2/c1-4-17-12-6-7-14(18-5-2)13(10-12)16-9-8-11(3)15-16/h6-10H,4-5H2,1-3H3
InChIKeyLSVKCNAIQCNXTJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)-3-methylpyrazole

1-(2,5-diethoxyphenyl)-3-methylpyrazole (PubChem CID 118271097) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-3-methylpyrazole
PubChem CID118271097
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2,5-diethoxyphenyl)-3-methylpyrazole
SMILESCCOc1ccc(OCC)c(-n2ccc(C)n2)c1
InChIInChI=1S/C14H18N2O2/c1-4-17-12-6-7-14(18-5-2)13(10-12)16-9-8-11(3)15-16/h6-10H,4-5H2,1-3H3
InChIKeyLSVKCNAIQCNXTJ-UHFFFAOYSA-N
XLogP2.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-3-methylpyrazole?
The IUPAC name of 1-(2,5-diethoxyphenyl)-3-methylpyrazole (CID 118271097) is 1-(2,5-diethoxyphenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-3-methylpyrazole?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-3-methylpyrazole is CCOc1ccc(OCC)c(-n2ccc(C)n2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-3-methylpyrazole?
The InChIKey is LSVKCNAIQCNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-17-12-6-7-14(18-5-2)13(10-12)16-9-8-11(3)15-16/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-diethoxyphenyl)-3-methylpyrazole?
1-(2,5-diethoxyphenyl)-3-methylpyrazole has a molecular weight of 246.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-3-methylpyrazole is sourced from PubChem (CID 118271097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).