5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole

C11H16BrClN2 — CID 114665383

IUPAC5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(Cl)c1C1CCC(Br)C1
InChIInChI=1S/C11H16BrClN2/c1-7(2)15-11(10(13)6-14-15)8-3-4-9(12)5-8/h6-9H,3-5H2,1-2H3
InChIKeyFKWSFVDLIJHLKV-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.15
Rot. Bonds2

About 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole

5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole (PubChem CID 114665383) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
PubChem CID114665383
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(Cl)c1C1CCC(Br)C1
InChIInChI=1S/C11H16BrClN2/c1-7(2)15-11(10(13)6-14-15)8-3-4-9(12)5-8/h6-9H,3-5H2,1-2H3
InChIKeyFKWSFVDLIJHLKV-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.15
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

5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
CID 114665372
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
CID 83840007
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114665091
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663690
(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
CID 66436592
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylpiperidine
CID 114272278
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine
CID 114664209
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
CID 114652139
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
5-chloro-2-cyclopropyl-1-propan-2-ylimidazole
CID 117259506
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
CID 114664764

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole?
The IUPAC name of 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole (CID 114665383) is 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole is CC(C)n1ncc(Cl)c1C1CCC(Br)C1.
What is the InChIKey of 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole?
The InChIKey is FKWSFVDLIJHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-7(2)15-11(10(13)6-14-15)8-3-4-9(12)5-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole?
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole has a molecular weight of 291.62 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole is sourced from PubChem (CID 114665383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).