3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole

C15H25BrN2 — CID 64777282

IUPAC3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
SMILESCC(C)(C)C(Br)CCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H25BrN2/c1-15(2,3)14(16)9-8-12-10-11-18(17-12)13-6-4-5-7-13/h10-11,13-14H,4-9H2,1-3H3
InChIKeyDHJSKYDCRAMBKI-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.74
Rot. Bonds4

About 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole

3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole (PubChem CID 64777282) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
PubChem CID64777282
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
SMILESCC(C)(C)C(Br)CCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H25BrN2/c1-15(2,3)14(16)9-8-12-10-11-18(17-12)13-6-4-5-7-13/h10-11,13-14H,4-9H2,1-3H3
InChIKeyDHJSKYDCRAMBKI-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.74
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

3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(3-bromo-4-methoxybutyl)-1-cyclopentylpyrazole
CID 64780038
N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777209
N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777399
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
3-(2-chloro-5,5-dimethylhexyl)-1-cyclopentylpyrazole
CID 114211844
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole?
The IUPAC name of 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole (CID 64777282) is 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole.
What is the SMILES notation for 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole?
The canonical SMILES for 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole is CC(C)(C)C(Br)CCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole?
The InChIKey is DHJSKYDCRAMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-15(2,3)14(16)9-8-12-10-11-18(17-12)13-6-4-5-7-13/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole?
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole has a molecular weight of 313.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole is sourced from PubChem (CID 64777282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).