5-bromo-1-methyl-3-phenylpyrazole

C10H9BrN2 — CID 71647960

IUPAC5-bromo-1-methyl-3-phenylpyrazole
SMILESCn1nc(-c2ccccc2)cc1Br
InChIInChI=1S/C10H9BrN2/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWILDUCFAXIIARO-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

About 5-bromo-1-methyl-3-phenylpyrazole

5-bromo-1-methyl-3-phenylpyrazole (PubChem CID 71647960) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-bromo-1-methyl-3-phenylpyrazole
PubChem CID71647960
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name5-bromo-1-methyl-3-phenylpyrazole
SMILESCn1nc(-c2ccccc2)cc1Br
InChIInChI=1S/C10H9BrN2/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWILDUCFAXIIARO-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-phenylpyrazole?
The IUPAC name of 5-bromo-1-methyl-3-phenylpyrazole (CID 71647960) is 5-bromo-1-methyl-3-phenylpyrazole.
What is the SMILES notation for 5-bromo-1-methyl-3-phenylpyrazole?
The canonical SMILES for 5-bromo-1-methyl-3-phenylpyrazole is Cn1nc(-c2ccccc2)cc1Br.
What is the InChIKey of 5-bromo-1-methyl-3-phenylpyrazole?
The InChIKey is WILDUCFAXIIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-bromo-1-methyl-3-phenylpyrazole?
5-bromo-1-methyl-3-phenylpyrazole has a molecular weight of 237.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-phenylpyrazole is sourced from PubChem (CID 71647960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).