3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole

C16H12BrClN2O — CID 67042683

IUPAC3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
SMILESClc1ccc(-n2ccc(OCc3ccccc3Br)n2)cc1
InChIInChI=1S/C16H12BrClN2O/c17-15-4-2-1-3-12(15)11-21-16-9-10-20(19-16)14-7-5-13(18)6-8-14/h1-10H,11H2
InChIKeyCOOHKFMRLJERFZ-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.87
Rot. Bonds4

About 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole

3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole (PubChem CID 67042683) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
PubChem CID67042683
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
SMILESClc1ccc(-n2ccc(OCc3ccccc3Br)n2)cc1
InChIInChI=1S/C16H12BrClN2O/c17-15-4-2-1-3-12(15)11-21-16-9-10-20(19-16)14-7-5-13(18)6-8-14/h1-10H,11H2
InChIKeyCOOHKFMRLJERFZ-UHFFFAOYSA-N
XLogP4.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole (CID 67042683) is 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole is Clc1ccc(-n2ccc(OCc3ccccc3Br)n2)cc1.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole?
The InChIKey is COOHKFMRLJERFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-15-4-2-1-3-12(15)11-21-16-9-10-20(19-16)14-7-5-13(18)6-8-14/h1-10H,11H2.
What are the key properties of 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole?
3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole has a molecular weight of 363.64 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole is sourced from PubChem (CID 67042683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).