5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole

C12H19BrN2 — CID 66048250

IUPAC5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC2(CBr)CCCC2)n(C)n1
InChIInChI=1S/C12H19BrN2/c1-10-7-11(15(2)14-10)8-12(9-13)5-3-4-6-12/h7H,3-6,8-9H2,1-2H3
InChIKeyYOEMKCMKRGBGRD-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.23
Rot. Bonds3

About 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole

5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole (PubChem CID 66048250) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
PubChem CID66048250
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC2(CBr)CCCC2)n(C)n1
InChIInChI=1S/C12H19BrN2/c1-10-7-11(15(2)14-10)8-12(9-13)5-3-4-6-12/h7H,3-6,8-9H2,1-2H3
InChIKeyYOEMKCMKRGBGRD-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.23
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-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1,3-dimethylpyrazole
CID 66048706
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-[[1-(bromomethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 65001118
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610827
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976
4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 114235666
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
CID 66034904
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049569

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole (CID 66048250) is 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole is Cc1cc(CC2(CBr)CCCC2)n(C)n1.
What is the InChIKey of 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The InChIKey is YOEMKCMKRGBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10-7-11(15(2)14-10)8-12(9-13)5-3-4-6-12/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole has a molecular weight of 271.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 66048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).