4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole

C11H14BrClN2 — CID 114665700

IUPAC4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C1=CC(Cl)CC1
InChIInChI=1S/C11H14BrClN2/c1-2-5-15-11(10(12)7-14-15)8-3-4-9(13)6-8/h6-7,9H,2-5H2,1H3
InChIKeyQZGRLFDBVLEKJW-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole

4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole (PubChem CID 114665700) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole
PubChem CID114665700
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole
SMILESCCCn1ncc(Br)c1C1=CC(Cl)CC1
InChIInChI=1S/C11H14BrClN2/c1-2-5-15-11(10(12)7-14-15)8-3-4-9(13)6-8/h6-7,9H,2-5H2,1H3
InChIKeyQZGRLFDBVLEKJW-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.84
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-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
4-(4-bromo-1-propylpyrazol-5-yl)aniline
CID 106505841
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
4-bromo-5-(oxiran-2-ylmethyl)-1-propylpyrazole
CID 114667610
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
CID 114794969
2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine
CID 114662324
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041328

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole?
The IUPAC name of 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole (CID 114665700) is 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole.
What is the SMILES notation for 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole?
The canonical SMILES for 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole is CCCn1ncc(Br)c1C1=CC(Cl)CC1.
What is the InChIKey of 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole?
The InChIKey is QZGRLFDBVLEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-2-5-15-11(10(12)7-14-15)8-3-4-9(13)6-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole?
4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole has a molecular weight of 289.60 g/mol, XLogP of 3.84, 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-chlorocyclopenten-1-yl)-1-propylpyrazole is sourced from PubChem (CID 114665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).