1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole

C13H16N2O — CID 63810139

IUPAC1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
SMILESCOc1ccccc1Cn1nc(C)cc1C
InChIInChI=1S/C13H16N2O/c1-10-8-11(2)15(14-10)9-12-6-4-5-7-13(12)16-3/h4-8H,9H2,1-3H3
InChIKeyTYNLOXIYIIOYCU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole

1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole (PubChem CID 63810139) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
PubChem CID63810139
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
SMILESCOc1ccccc1Cn1nc(C)cc1C
InChIInChI=1S/C13H16N2O/c1-10-8-11(2)15(14-10)9-12-6-4-5-7-13(12)16-3/h4-8H,9H2,1-3H3
InChIKeyTYNLOXIYIIOYCU-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 78804066
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55506427
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 42515322
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62449080
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969753
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
(E)-2-(benzenesulfonyl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enenitrile
CID 1294900
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
2-(2-chlorophenoxy)-N-[(Z)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]acetamide
CID 5431797
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole (CID 63810139) is 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole is COc1ccccc1Cn1nc(C)cc1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole?
The InChIKey is TYNLOXIYIIOYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-8-11(2)15(14-10)9-12-6-4-5-7-13(12)16-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole?
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 63810139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).