1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole

C11H11ClN2O — CID 2318102

IUPAC1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
SMILESCOc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-8-7-11(15-2)14(13-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyCPUIYWMFPWOIAQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole

1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole (PubChem CID 2318102) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
PubChem CID2318102
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
SMILESCOc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-8-7-11(15-2)14(13-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyCPUIYWMFPWOIAQ-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 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole (CID 2318102) is 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole is COc1cc(C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole?
The InChIKey is CPUIYWMFPWOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-7-11(15-2)14(13-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole?
1-(4-chlorophenyl)-5-methoxy-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 1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole is sourced from PubChem (CID 2318102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).