4-(bromomethyl)-1,5-dipropylpyrazole

C10H17BrN2 — CID 66437945

IUPAC4-(bromomethyl)-1,5-dipropylpyrazole
SMILESCCCc1c(CBr)cnn1CCC
InChIInChI=1S/C10H17BrN2/c1-3-5-10-9(7-11)8-12-13(10)6-4-2/h8H,3-7H2,1-2H3
InChIKeyRUQWRLJOWAIDGS-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.14
Rot. Bonds5

About 4-(bromomethyl)-1,5-dipropylpyrazole

4-(bromomethyl)-1,5-dipropylpyrazole (PubChem CID 66437945) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1,5-dipropylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1,5-dipropylpyrazole
PubChem CID66437945
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name4-(bromomethyl)-1,5-dipropylpyrazole
SMILESCCCc1c(CBr)cnn1CCC
InChIInChI=1S/C10H17BrN2/c1-3-5-10-9(7-11)8-12-13(10)6-4-2/h8H,3-7H2,1-2H3
InChIKeyRUQWRLJOWAIDGS-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.14
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-ethyl-5-propylpyrazole
CID 66437286
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
CID 66436656
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
2-[4-(aminomethyl)-5-propylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66441376
4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
CID 66436219
N-[[1-[2-(dimethylamino)ethyl]-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66441173
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
CID 123958494
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
N-[[1-[2-(dimethylamino)ethyl]-5-propylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440973

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,5-dipropylpyrazole?
The IUPAC name of 4-(bromomethyl)-1,5-dipropylpyrazole (CID 66437945) is 4-(bromomethyl)-1,5-dipropylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1,5-dipropylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1,5-dipropylpyrazole is CCCc1c(CBr)cnn1CCC.
What is the InChIKey of 4-(bromomethyl)-1,5-dipropylpyrazole?
The InChIKey is RUQWRLJOWAIDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-3-5-10-9(7-11)8-12-13(10)6-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1,5-dipropylpyrazole?
4-(bromomethyl)-1,5-dipropylpyrazole has a molecular weight of 245.16 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,5-dipropylpyrazole is sourced from PubChem (CID 66437945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).