5-(3-bromocyclopentyl)-1-ethylpyrazole

C10H15BrN2 — CID 64507142

IUPAC5-(3-bromocyclopentyl)-1-ethylpyrazole
SMILESCCn1nccc1C1CCC(Br)C1
InChIInChI=1S/C10H15BrN2/c1-2-13-10(5-6-12-13)8-3-4-9(11)7-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFRUZRTPUBXCAKV-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.93
Rot. Bonds2

About 5-(3-bromocyclopentyl)-1-ethylpyrazole

5-(3-bromocyclopentyl)-1-ethylpyrazole (PubChem CID 64507142) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-(3-bromocyclopentyl)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(3-bromocyclopentyl)-1-ethylpyrazole
PubChem CID64507142
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-(3-bromocyclopentyl)-1-ethylpyrazole
SMILESCCn1nccc1C1CCC(Br)C1
InChIInChI=1S/C10H15BrN2/c1-2-13-10(5-6-12-13)8-3-4-9(11)7-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFRUZRTPUBXCAKV-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromocyclopentyl)-1-ethylpyrazole?
The IUPAC name of 5-(3-bromocyclopentyl)-1-ethylpyrazole (CID 64507142) is 5-(3-bromocyclopentyl)-1-ethylpyrazole.
What is the SMILES notation for 5-(3-bromocyclopentyl)-1-ethylpyrazole?
The canonical SMILES for 5-(3-bromocyclopentyl)-1-ethylpyrazole is CCn1nccc1C1CCC(Br)C1.
What is the InChIKey of 5-(3-bromocyclopentyl)-1-ethylpyrazole?
The InChIKey is FRUZRTPUBXCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-2-13-10(5-6-12-13)8-3-4-9(11)7-8/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 5-(3-bromocyclopentyl)-1-ethylpyrazole?
5-(3-bromocyclopentyl)-1-ethylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromocyclopentyl)-1-ethylpyrazole is sourced from PubChem (CID 64507142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).