3-(bromomethyl)-1-propylpyrazole

C7H11BrN2 — CID 122165667

IUPAC3-(bromomethyl)-1-propylpyrazole
SMILESCCCn1ccc(CBr)n1
InChIInChI=1S/C7H11BrN2/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6H2,1H3
InChIKeyYSJPHBOEAPGJTQ-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.19
Rot. Bonds3

About 3-(bromomethyl)-1-propylpyrazole

3-(bromomethyl)-1-propylpyrazole (PubChem CID 122165667) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 3-(bromomethyl)-1-propylpyrazole.

Molecular Properties

Compound Name3-(bromomethyl)-1-propylpyrazole
PubChem CID122165667
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name3-(bromomethyl)-1-propylpyrazole
SMILESCCCn1ccc(CBr)n1
InChIInChI=1S/C7H11BrN2/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6H2,1H3
InChIKeyYSJPHBOEAPGJTQ-UHFFFAOYSA-N
XLogP2.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.19
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-(bromomethyl)-1-propylpyrazole;hydrobromide
CID 126965597
(1-propylpyrazol-3-yl)methanamine
CID 19576818
3-butyl-1-propylpyrazole
CID 90936272
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
3-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
3-(butan-2-yloxymethyl)-1-propylpyrazole
CID 122170516
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
3-(3-propylpyrazol-1-yl)propan-1-ol
CID 90288358
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 177014001

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-propylpyrazole?
The IUPAC name of 3-(bromomethyl)-1-propylpyrazole (CID 122165667) is 3-(bromomethyl)-1-propylpyrazole.
What is the SMILES notation for 3-(bromomethyl)-1-propylpyrazole?
The canonical SMILES for 3-(bromomethyl)-1-propylpyrazole is CCCn1ccc(CBr)n1.
What is the InChIKey of 3-(bromomethyl)-1-propylpyrazole?
The InChIKey is YSJPHBOEAPGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-(bromomethyl)-1-propylpyrazole?
3-(bromomethyl)-1-propylpyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-propylpyrazole is sourced from PubChem (CID 122165667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).