5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole

C11H16BrClN2 — CID 114665372

IUPAC5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1C1CCC(Br)C1
InChIInChI=1S/C11H16BrClN2/c1-2-5-15-11(10(13)7-14-15)8-3-4-9(12)6-8/h7-9H,2-6H2,1H3
InChIKeyJMOUYJRQWFSRLH-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.98
Rot. Bonds3

About 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole

5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole (PubChem CID 114665372) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole.

Molecular Properties

Compound Name5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
PubChem CID114665372
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
SMILESCCCn1ncc(Cl)c1C1CCC(Br)C1
InChIInChI=1S/C11H16BrClN2/c1-2-5-15-11(10(13)7-14-15)8-3-4-9(12)6-8/h7-9H,2-6H2,1H3
InChIKeyJMOUYJRQWFSRLH-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.98
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-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114664094
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
CID 114665383
2-[4-bromo-5-(3-bromocyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665381
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
CID 114664092
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
CID 114663810
N-[[2-(4-chloro-1-propylpyrazol-5-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114667437
4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
CID 114665250
5-(3-bromocyclopentyl)-1-ethylpyrazole
CID 64507142
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
CID 114664100
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole?
The IUPAC name of 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole (CID 114665372) is 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole.
What is the SMILES notation for 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole?
The canonical SMILES for 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole is CCCn1ncc(Cl)c1C1CCC(Br)C1.
What is the InChIKey of 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole?
The InChIKey is JMOUYJRQWFSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-2-5-15-11(10(13)7-14-15)8-3-4-9(12)6-8/h7-9H,2-6H2,1H3.
What are the key properties of 5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole?
5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole has a molecular weight of 291.62 g/mol, XLogP of 3.98, 3 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-propylpyrazole is sourced from PubChem (CID 114665372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).