5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole

C11H11ClN2O — CID 66021210

IUPAC5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
SMILESCOc1ccccc1-n1nc(C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-8-7-11(12)14(13-8)9-5-3-4-6-10(9)15-2/h3-7H,1-2H3
InChIKeyKAXRHRWIGUAGLY-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.84
Rot. Bonds2

About 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole

5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole (PubChem CID 66021210) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
PubChem CID66021210
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
SMILESCOc1ccccc1-n1nc(C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-8-7-11(12)14(13-8)9-5-3-4-6-10(9)15-2/h3-7H,1-2H3
InChIKeyKAXRHRWIGUAGLY-UHFFFAOYSA-N
XLogP2.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole?
The IUPAC name of 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole (CID 66021210) is 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole.
What is the SMILES notation for 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole?
The canonical SMILES for 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole is COc1ccccc1-n1nc(C)cc1Cl.
What is the InChIKey of 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole?
The InChIKey is KAXRHRWIGUAGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-7-11(12)14(13-8)9-5-3-4-6-10(9)15-2/h3-7H,1-2H3.
What are the key properties of 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole?
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole is sourced from PubChem (CID 66021210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).