1-(3-bromophenyl)-5-methylpyrazole

C10H9BrN2 — CID 53415542

IUPAC1-(3-bromophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2/c1-8-5-6-12-13(8)10-4-2-3-9(11)7-10/h2-7H,1H3
InChIKeySOKRUOCNOJWGDW-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.94
Rot. Bonds1

About 1-(3-bromophenyl)-5-methylpyrazole

1-(3-bromophenyl)-5-methylpyrazole (PubChem CID 53415542) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methylpyrazole
PubChem CID53415542
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-(3-bromophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2/c1-8-5-6-12-13(8)10-4-2-3-9(11)7-10/h2-7H,1H3
InChIKeySOKRUOCNOJWGDW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methylpyrazole?
The IUPAC name of 1-(3-bromophenyl)-5-methylpyrazole (CID 53415542) is 1-(3-bromophenyl)-5-methylpyrazole.
What is the SMILES notation for 1-(3-bromophenyl)-5-methylpyrazole?
The canonical SMILES for 1-(3-bromophenyl)-5-methylpyrazole is Cc1ccnn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-methylpyrazole?
The InChIKey is SOKRUOCNOJWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-8-5-6-12-13(8)10-4-2-3-9(11)7-10/h2-7H,1H3.
What are the key properties of 1-(3-bromophenyl)-5-methylpyrazole?
1-(3-bromophenyl)-5-methylpyrazole has a molecular weight of 237.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methylpyrazole is sourced from PubChem (CID 53415542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).