1-(2-methoxyphenyl)-3,5-dimethylpyrazole

C12H14N2O — CID 18177290

IUPAC1-(2-methoxyphenyl)-3,5-dimethylpyrazole
SMILESCOc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C12H14N2O/c1-9-8-10(2)14(13-9)11-6-4-5-7-12(11)15-3/h4-8H,1-3H3
InChIKeyXZMVAOUJPDQKTI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-methoxyphenyl)-3,5-dimethylpyrazole

1-(2-methoxyphenyl)-3,5-dimethylpyrazole (PubChem CID 18177290) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,5-dimethylpyrazole
PubChem CID18177290
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(2-methoxyphenyl)-3,5-dimethylpyrazole
SMILESCOc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C12H14N2O/c1-9-8-10(2)14(13-9)11-6-4-5-7-12(11)15-3/h4-8H,1-3H3
InChIKeyXZMVAOUJPDQKTI-UHFFFAOYSA-N
XLogP2.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-methoxyphenyl)-3,5-dimethylpyrazole (CID 18177290) is 1-(2-methoxyphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3,5-dimethylpyrazole is COc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-3,5-dimethylpyrazole?
The InChIKey is XZMVAOUJPDQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-8-10(2)14(13-9)11-6-4-5-7-12(11)15-3/h4-8H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3,5-dimethylpyrazole?
1-(2-methoxyphenyl)-3,5-dimethylpyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 18177290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).