4-(bromomethyl)-1-ethyl-5-propylpyrazole

C9H15BrN2 — CID 66437286

IUPAC4-(bromomethyl)-1-ethyl-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1CC
InChIInChI=1S/C9H15BrN2/c1-3-5-9-8(6-10)7-11-12(9)4-2/h7H,3-6H2,1-2H3
InChIKeyTWPITHMGSXSPLP-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.75
Rot. Bonds4

About 4-(bromomethyl)-1-ethyl-5-propylpyrazole

4-(bromomethyl)-1-ethyl-5-propylpyrazole (PubChem CID 66437286) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-ethyl-5-propylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-ethyl-5-propylpyrazole
PubChem CID66437286
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name4-(bromomethyl)-1-ethyl-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1CC
InChIInChI=1S/C9H15BrN2/c1-3-5-9-8(6-10)7-11-12(9)4-2/h7H,3-6H2,1-2H3
InChIKeyTWPITHMGSXSPLP-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.75
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

4-(bromomethyl)-1,5-dipropylpyrazole
CID 66437945
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
CID 66436656
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
1-(1-ethyl-5-propylpyrazol-4-yl)ethanamine
CID 105439739
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
CID 105464288
[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 105439736
[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
CID 123958494
4-bromo-1,5-diethylpyrazole
CID 66959053
2-[4-(aminomethyl)-5-propylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66441376
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
CID 66436219

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-ethyl-5-propylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-ethyl-5-propylpyrazole (CID 66437286) is 4-(bromomethyl)-1-ethyl-5-propylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-ethyl-5-propylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-ethyl-5-propylpyrazole is CCCc1c(CBr)cnn1CC.
What is the InChIKey of 4-(bromomethyl)-1-ethyl-5-propylpyrazole?
The InChIKey is TWPITHMGSXSPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-3-5-9-8(6-10)7-11-12(9)4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-ethyl-5-propylpyrazole?
4-(bromomethyl)-1-ethyl-5-propylpyrazole has a molecular weight of 231.14 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-ethyl-5-propylpyrazole is sourced from PubChem (CID 66437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).