1-(2-chlorophenyl)-4-methoxypyrazole

C10H9ClN2O — CID 117229717

IUPAC1-(2-chlorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeyFXLSMVQCYQKDEW-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.53
Rot. Bonds2

About 1-(2-chlorophenyl)-4-methoxypyrazole

1-(2-chlorophenyl)-4-methoxypyrazole (PubChem CID 117229717) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methoxypyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methoxypyrazole
PubChem CID117229717
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(2-chlorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeyFXLSMVQCYQKDEW-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methoxypyrazole?
The IUPAC name of 1-(2-chlorophenyl)-4-methoxypyrazole (CID 117229717) is 1-(2-chlorophenyl)-4-methoxypyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methoxypyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-4-methoxypyrazole is COc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-4-methoxypyrazole?
The InChIKey is FXLSMVQCYQKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h2-7H,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-methoxypyrazole?
1-(2-chlorophenyl)-4-methoxypyrazole has a molecular weight of 208.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methoxypyrazole is sourced from PubChem (CID 117229717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).