3-(3-bromophenyl)-1-methylpyrazole

C10H9BrN2 — CID 22329555

IUPAC3-(3-bromophenyl)-1-methylpyrazole
SMILESCn1ccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-7H,1H3
InChIKeyPNVHBUUFMMMKBR-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

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

3-(3-bromophenyl)-1-methylpyrazole (PubChem CID 22329555) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-methylpyrazole
PubChem CID22329555
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name3-(3-bromophenyl)-1-methylpyrazole
SMILESCn1ccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-7H,1H3
InChIKeyPNVHBUUFMMMKBR-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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Related Compounds

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CID 22559031
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CID 139119
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CID 613284
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CID 22558675
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CID 75422432
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-methylpyrazole?
The IUPAC name of 3-(3-bromophenyl)-1-methylpyrazole (CID 22329555) is 3-(3-bromophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(3-bromophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(3-bromophenyl)-1-methylpyrazole is Cn1ccc(-c2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenyl)-1-methylpyrazole?
The InChIKey is PNVHBUUFMMMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-7H,1H3.
What are the key properties of 3-(3-bromophenyl)-1-methylpyrazole?
3-(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 3-(3-bromophenyl)-1-methylpyrazole is sourced from PubChem (CID 22329555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).