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

C12H14N2O — CID 57246578

IUPAC5-(3-methoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1cccc(-c2cc(C)nn2C)c1
InChIInChI=1S/C12H14N2O/c1-9-7-12(14(2)13-9)10-5-4-6-11(8-10)15-3/h4-8H,1-3H3
InChIKeyBQFBFMYNTXBXJW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.40
Rot. Bonds2

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

5-(3-methoxyphenyl)-1,3-dimethylpyrazole (PubChem CID 57246578) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,3-dimethylpyrazole
PubChem CID57246578
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(3-methoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1cccc(-c2cc(C)nn2C)c1
InChIInChI=1S/C12H14N2O/c1-9-7-12(14(2)13-9)10-5-4-6-11(8-10)15-3/h4-8H,1-3H3
InChIKeyBQFBFMYNTXBXJW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159157
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 22104457
5-(3-bromophenyl)-1,3-dimethylpyrazole
CID 116856814
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(3-methoxyphenyl)-1,3-dimethylpyrazole (CID 57246578) is 5-(3-methoxyphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-1,3-dimethylpyrazole is COc1cccc(-c2cc(C)nn2C)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,3-dimethylpyrazole?
The InChIKey is BQFBFMYNTXBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-7-12(14(2)13-9)10-5-4-6-11(8-10)15-3/h4-8H,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)-1,3-dimethylpyrazole?
5-(3-methoxyphenyl)-1,3-dimethylpyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 57246578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).