4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole

C9H14Br2N2 — CID 66049822

IUPAC4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC(C)CBr)c1Br
InChIInChI=1S/C9H14Br2N2/c1-6(5-10)4-8-9(11)7(2)12-13(8)3/h6H,4-5H2,1-3H3
InChIKeyCVDZBHRMLXVGIP-UHFFFAOYSA-N
MW310.03 g/mol
LogP3.06
Rot. Bonds3

About 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole

4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole (PubChem CID 66049822) has the molecular formula C9H14Br2N2 and a molecular weight of 310.03 g/mol. Its IUPAC name is 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
PubChem CID66049822
Molecular FormulaC9H14Br2N2
Molecular Weight310.03 g/mol
Exact Mass307.95
IUPAC Name4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC(C)CBr)c1Br
InChIInChI=1S/C9H14Br2N2/c1-6(5-10)4-8-9(11)7(2)12-13(8)3/h6H,4-5H2,1-3H3
InChIKeyCVDZBHRMLXVGIP-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81016090
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
CID 105000170
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
4-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]butan-2-amine
CID 83187571
4-bromo-5-(3-chloro-2-methyl-3-phenylpropyl)-1,3-dimethylpyrazole
CID 104846442
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
CID 79954429
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105161027
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79025751

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole (CID 66049822) is 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole is Cc1nn(C)c(CC(C)CBr)c1Br.
What is the InChIKey of 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole?
The InChIKey is CVDZBHRMLXVGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2N2/c1-6(5-10)4-8-9(11)7(2)12-13(8)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole?
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole has a molecular weight of 310.03 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 66049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).