5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole

C11H10Cl2N2O — CID 116869199

IUPAC5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15-8(5-6-14-15)7-3-4-9(16-2)11(13)10(7)12/h3-6H,1-2H3
InChIKeyYDOWZUUQKDNUCM-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.40
Rot. Bonds2

About 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole

5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole (PubChem CID 116869199) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
PubChem CID116869199
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15-8(5-6-14-15)7-3-4-9(16-2)11(13)10(7)12/h3-6H,1-2H3
InChIKeyYDOWZUUQKDNUCM-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
3-methoxy-2-(2-methylpyrazol-3-yl)pyridine
CID 173069965
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
CID 155683259
5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
CID 142626045
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
CID 158858743

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole (CID 116869199) is 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole is COc1ccc(-c2ccnn2C)c(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is YDOWZUUQKDNUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-15-8(5-6-14-15)7-3-4-9(16-2)11(13)10(7)12/h3-6H,1-2H3.
What are the key properties of 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole?
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 257.12 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 116869199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).