1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole

C15H20N2O2 — CID 134315657

IUPAC1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
SMILESCCn1nc(-c2ccc(C)cc2OC)cc1COC
InChIInChI=1S/C15H20N2O2/c1-5-17-12(10-18-3)9-14(16-17)13-7-6-11(2)8-15(13)19-4/h6-9H,5,10H2,1-4H3
InChIKeyQTZCWGWAVHNHKS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.03
Rot. Bonds5

About 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole

1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole (PubChem CID 134315657) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
PubChem CID134315657
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
SMILESCCn1nc(-c2ccc(C)cc2OC)cc1COC
InChIInChI=1S/C15H20N2O2/c1-5-17-12(10-18-3)9-14(16-17)13-7-6-11(2)8-15(13)19-4/h6-9H,5,10H2,1-4H3
InChIKeyQTZCWGWAVHNHKS-UHFFFAOYSA-N
XLogP3.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole?
The IUPAC name of 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole (CID 134315657) is 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole?
The canonical SMILES for 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole is CCn1nc(-c2ccc(C)cc2OC)cc1COC.
What is the InChIKey of 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole?
The InChIKey is QTZCWGWAVHNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-17-12(10-18-3)9-14(16-17)13-7-6-11(2)8-15(13)19-4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole?
1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole has a molecular weight of 260.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole is sourced from PubChem (CID 134315657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).