3,4-dibromo-1-tert-butyl-5-chloropyrazole

C7H9Br2ClN2 — CID 153449605

IUPAC3,4-dibromo-1-tert-butyl-5-chloropyrazole
SMILESCC(C)(C)n1nc(Br)c(Br)c1Cl
InChIInChI=1S/C7H9Br2ClN2/c1-7(2,3)12-6(10)4(8)5(9)11-12/h1-3H3
InChIKeyCHYPTMDZMCCVFO-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.82
Rot. Bonds

About 3,4-dibromo-1-tert-butyl-5-chloropyrazole

3,4-dibromo-1-tert-butyl-5-chloropyrazole (PubChem CID 153449605) has the molecular formula C7H9Br2ClN2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 3,4-dibromo-1-tert-butyl-5-chloropyrazole.

Molecular Properties

Compound Name3,4-dibromo-1-tert-butyl-5-chloropyrazole
PubChem CID153449605
Molecular FormulaC7H9Br2ClN2
Molecular Weight316.42 g/mol
Exact Mass313.88
IUPAC Name3,4-dibromo-1-tert-butyl-5-chloropyrazole
SMILESCC(C)(C)n1nc(Br)c(Br)c1Cl
InChIInChI=1S/C7H9Br2ClN2/c1-7(2,3)12-6(10)4(8)5(9)11-12/h1-3H3
InChIKeyCHYPTMDZMCCVFO-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-1-tert-butyl-5-iodopyrazole
CID 153165915
1-tert-butyl-5-chloro-3,4-diiodopyrazole
CID 146377289
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
3-bromo-1-tert-butyl-5-fluoro-4-methylpyrazole
CID 153449713
4-bromo-1-tert-butyl-5-chloropyrazole
CID 115042322
5-bromo-1-tert-butyl-4-chloro-3-fluoropyrazole
CID 147365777
4,5-dibromo-2-tert-butyltriazole
CID 138552608
1-tert-butyl-5-chloro-4-(difluoromethyl)-3-methylpyrazole
CID 153449685
1-tert-butyl-5-chloro-3-methylpyrazole-4-carbonyl chloride
CID 119027926
3-bromo-5-chloro-1-methylpyrazol-4-amine
CID 84677979
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
1-tert-butyl-5-chloro-3-ethylpyrazole-4-carbaldehyde
CID 43145614

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-tert-butyl-5-chloropyrazole?
The IUPAC name of 3,4-dibromo-1-tert-butyl-5-chloropyrazole (CID 153449605) is 3,4-dibromo-1-tert-butyl-5-chloropyrazole.
What is the SMILES notation for 3,4-dibromo-1-tert-butyl-5-chloropyrazole?
The canonical SMILES for 3,4-dibromo-1-tert-butyl-5-chloropyrazole is CC(C)(C)n1nc(Br)c(Br)c1Cl.
What is the InChIKey of 3,4-dibromo-1-tert-butyl-5-chloropyrazole?
The InChIKey is CHYPTMDZMCCVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2ClN2/c1-7(2,3)12-6(10)4(8)5(9)11-12/h1-3H3.
What are the key properties of 3,4-dibromo-1-tert-butyl-5-chloropyrazole?
3,4-dibromo-1-tert-butyl-5-chloropyrazole has a molecular weight of 316.42 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-tert-butyl-5-chloropyrazole is sourced from PubChem (CID 153449605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).