1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole

C13H16N2O — CID 66016718

IUPAC1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(-c2cc(C)ccc2C)n1
InChIInChI=1S/C13H16N2O/c1-10-4-5-11(2)13(8-10)15-7-6-12(14-15)9-16-3/h4-8H,9H2,1-3H3
InChIKeyAUPBYIXZKBYXGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole

1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole (PubChem CID 66016718) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
PubChem CID66016718
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(-c2cc(C)ccc2C)n1
InChIInChI=1S/C13H16N2O/c1-10-4-5-11(2)13(8-10)15-7-6-12(14-15)9-16-3/h4-8H,9H2,1-3H3
InChIKeyAUPBYIXZKBYXGE-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole (CID 66016718) is 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole is COCc1ccn(-c2cc(C)ccc2C)n1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole?
The InChIKey is AUPBYIXZKBYXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-4-5-11(2)13(8-10)15-7-6-12(14-15)9-16-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole?
1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole is sourced from PubChem (CID 66016718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).