3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole

C13H19BrN2 — CID 79603185

IUPAC3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole
SMILESBrCCC=CCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H19BrN2/c14-10-5-1-2-6-12-9-11-16(15-12)13-7-3-4-8-13/h1-2,9,11,13H,3-8,10H2
InChIKeyZSKODZRJZPHZNA-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.88
Rot. Bonds5

About 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole

3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole (PubChem CID 79603185) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole
PubChem CID79603185
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole
SMILESBrCCC=CCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H19BrN2/c14-10-5-1-2-6-12-9-11-16(15-12)13-7-3-4-8-13/h1-2,9,11,13H,3-8,10H2
InChIKeyZSKODZRJZPHZNA-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
CID 80673348
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
CID 64779762
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole?
The IUPAC name of 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole (CID 79603185) is 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole.
What is the SMILES notation for 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole?
The canonical SMILES for 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole is BrCCC=CCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole?
The InChIKey is ZSKODZRJZPHZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-10-5-1-2-6-12-9-11-16(15-12)13-7-3-4-8-13/h1-2,9,11,13H,3-8,10H2.
What are the key properties of 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole?
3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole has a molecular weight of 283.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole is sourced from PubChem (CID 79603185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).