4-(3-bromophenyl)-1-methylpyrazole

C10H9BrN2 — CID 19889425

IUPAC4-(3-bromophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2/c1-13-7-9(6-12-13)8-3-2-4-10(11)5-8/h2-7H,1H3
InChIKeyVWVZNEJHFOFOQP-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

About 4-(3-bromophenyl)-1-methylpyrazole

4-(3-bromophenyl)-1-methylpyrazole (PubChem CID 19889425) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-methylpyrazole
PubChem CID19889425
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name4-(3-bromophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2/c1-13-7-9(6-12-13)8-3-2-4-10(11)5-8/h2-7H,1H3
InChIKeyVWVZNEJHFOFOQP-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 4-(3-bromophenyl)-1-methylpyrazole?
The IUPAC name of 4-(3-bromophenyl)-1-methylpyrazole (CID 19889425) is 4-(3-bromophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-bromophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(3-bromophenyl)-1-methylpyrazole is Cn1cc(-c2cccc(Br)c2)cn1.
What is the InChIKey of 4-(3-bromophenyl)-1-methylpyrazole?
The InChIKey is VWVZNEJHFOFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-7-9(6-12-13)8-3-2-4-10(11)5-8/h2-7H,1H3.
What are the key properties of 4-(3-bromophenyl)-1-methylpyrazole?
4-(3-bromophenyl)-1-methylpyrazole 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 4-(3-bromophenyl)-1-methylpyrazole is sourced from PubChem (CID 19889425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).