5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole

C16H13BrN2 — CID 101238814

IUPAC5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2-c2ccccc2Br)cc1
InChIInChI=1S/C16H13BrN2/c1-12-6-8-13(9-7-12)19-16(10-11-18-19)14-4-2-3-5-15(14)17/h2-11H,1H3
InChIKeyCYVWXWCTDFYPLV-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds2

About 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole

5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole (PubChem CID 101238814) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole
PubChem CID101238814
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2-c2ccccc2Br)cc1
InChIInChI=1S/C16H13BrN2/c1-12-6-8-13(9-7-12)19-16(10-11-18-19)14-4-2-3-5-15(14)17/h2-11H,1H3
InChIKeyCYVWXWCTDFYPLV-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole (CID 101238814) is 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2nccc2-c2ccccc2Br)cc1.
What is the InChIKey of 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole?
The InChIKey is CYVWXWCTDFYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-12-6-8-13(9-7-12)19-16(10-11-18-19)14-4-2-3-5-15(14)17/h2-11H,1H3.
What are the key properties of 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole?
5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole has a molecular weight of 313.20 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 101238814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).