5-(4-bromophenyl)-3-methyl-3-phenylpyrazole

C16H13BrN2 — CID 135043467

IUPAC5-(4-bromophenyl)-3-methyl-3-phenylpyrazole
SMILESCC1(c2ccccc2)C=C(c2ccc(Br)cc2)N=N1
InChIInChI=1S/C16H13BrN2/c1-16(13-5-3-2-4-6-13)11-15(18-19-16)12-7-9-14(17)10-8-12/h2-11H,1H3
InChIKeyRVDJIGWTCXRVRP-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.17
Rot. Bonds2

About 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole

5-(4-bromophenyl)-3-methyl-3-phenylpyrazole (PubChem CID 135043467) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-3-phenylpyrazole
PubChem CID135043467
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name5-(4-bromophenyl)-3-methyl-3-phenylpyrazole
SMILESCC1(c2ccccc2)C=C(c2ccc(Br)cc2)N=N1
InChIInChI=1S/C16H13BrN2/c1-16(13-5-3-2-4-6-13)11-15(18-19-16)12-7-9-14(17)10-8-12/h2-11H,1H3
InChIKeyRVDJIGWTCXRVRP-UHFFFAOYSA-N
XLogP5.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole (CID 135043467) is 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole is CC1(c2ccccc2)C=C(c2ccc(Br)cc2)N=N1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole?
The InChIKey is RVDJIGWTCXRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-16(13-5-3-2-4-6-13)11-15(18-19-16)12-7-9-14(17)10-8-12/h2-11H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole?
5-(4-bromophenyl)-3-methyl-3-phenylpyrazole has a molecular weight of 313.20 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-3-phenylpyrazole is sourced from PubChem (CID 135043467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).