4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole

C12H18Br2N2 — CID 114662597

IUPAC4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C1CCCCC1Br
InChIInChI=1S/C12H18Br2N2/c1-2-7-16-12(11(14)8-15-16)9-5-3-4-6-10(9)13/h8-10H,2-7H2,1H3
InChIKeyHLWHBWZIOJLARP-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole

4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole (PubChem CID 114662597) has the molecular formula C12H18Br2N2 and a molecular weight of 350.10 g/mol. Its IUPAC name is 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
PubChem CID114662597
Molecular FormulaC12H18Br2N2
Molecular Weight350.10 g/mol
Exact Mass347.98
IUPAC Name4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C1CCCCC1Br
InChIInChI=1S/C12H18Br2N2/c1-2-7-16-12(11(14)8-15-16)9-5-3-4-6-10(9)13/h8-10H,2-7H2,1H3
InChIKeyHLWHBWZIOJLARP-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.48
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-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole?
The IUPAC name of 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole (CID 114662597) is 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole.
What is the SMILES notation for 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole?
The canonical SMILES for 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole is CCCn1ncc(Br)c1C1CCCCC1Br.
What is the InChIKey of 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole?
The InChIKey is HLWHBWZIOJLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2/c1-2-7-16-12(11(14)8-15-16)9-5-3-4-6-10(9)13/h8-10H,2-7H2,1H3.
What are the key properties of 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole?
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole has a molecular weight of 350.10 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole is sourced from PubChem (CID 114662597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).