3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole

C13H19BrN2 — CID 66049323

IUPAC3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
SMILESBrCC1(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C13H19BrN2/c14-10-13(6-7-13)9-11-5-8-16(15-11)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-10H2
InChIKeyVOFRSVSKVLCJEB-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.72
Rot. Bonds4

About 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole

3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole (PubChem CID 66049323) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
PubChem CID66049323
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
SMILESBrCC1(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C13H19BrN2/c14-10-13(6-7-13)9-11-5-8-16(15-11)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-10H2
InChIKeyVOFRSVSKVLCJEB-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.72
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-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-cyclohexylpyrazole
CID 66050961
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole?
The IUPAC name of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole (CID 66049323) is 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole?
The canonical SMILES for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole is BrCC1(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole?
The InChIKey is VOFRSVSKVLCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-10-13(6-7-13)9-11-5-8-16(15-11)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-10H2.
What are the key properties of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole?
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole has a molecular weight of 283.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole is sourced from PubChem (CID 66049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).