3,4-dibromo-5-methyl-1H-pyrazole

C4H4Br2N2 — CID 4575242

IUPAC3,4-dibromo-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Br)c1Br
InChIInChI=1S/C4H4Br2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyHKWXBKMXJLNKLC-UHFFFAOYSA-N
MW239.90 g/mol
LogP2.24
Rot. Bonds

About 3,4-dibromo-5-methyl-1H-pyrazole

3,4-dibromo-5-methyl-1H-pyrazole (PubChem CID 4575242) has the molecular formula C4H4Br2N2 and a molecular weight of 239.90 g/mol. Its IUPAC name is 3,4-dibromo-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,4-dibromo-5-methyl-1H-pyrazole
PubChem CID4575242
Molecular FormulaC4H4Br2N2
Molecular Weight239.90 g/mol
Exact Mass237.87
IUPAC Name3,4-dibromo-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Br)c1Br
InChIInChI=1S/C4H4Br2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyHKWXBKMXJLNKLC-UHFFFAOYSA-N
XLogP2.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.90
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-dimethyl-1H-pyrazole
CID 76937
3-Amino-4-bromo-5-methylpyrazole
CID 1241299
3-bromo-5-methyl-1H-pyrazole
CID 1201423
5-Amino-4-bromo-3-methylpyrazole hydrobromide
CID 2778427
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125448910
4-Bromo-3-chloro-5-methyl-1H-pyrazole
CID 14849317
4-Bromo-3-fluoro-5-methyl-1H-pyrazole
CID 14849318
4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole
CID 89046689
3-bromo-4-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 130228495
3-bromo-4-(difluoromethyl)-5-methyl-1H-pyrazole
CID 173589079
3-bromo-4-fluoro-5-methyl-1H-pyrazole
CID 173589095
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
CID 135504741

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-methyl-1H-pyrazole?
The IUPAC name of 3,4-dibromo-5-methyl-1H-pyrazole (CID 4575242) is 3,4-dibromo-5-methyl-1H-pyrazole.
What is the SMILES notation for 3,4-dibromo-5-methyl-1H-pyrazole?
The canonical SMILES for 3,4-dibromo-5-methyl-1H-pyrazole is Cc1[nH]nc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-5-methyl-1H-pyrazole?
The InChIKey is HKWXBKMXJLNKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 3,4-dibromo-5-methyl-1H-pyrazole?
3,4-dibromo-5-methyl-1H-pyrazole has a molecular weight of 239.90 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-methyl-1H-pyrazole is sourced from PubChem (CID 4575242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).