4-bromo-3-(butoxymethyl)-1-propylpyrazole

C11H19BrN2O — CID 122170666

IUPAC4-bromo-3-(butoxymethyl)-1-propylpyrazole
SMILESCCCCOCc1nn(CCC)cc1Br
InChIInChI=1S/C11H19BrN2O/c1-3-5-7-15-9-11-10(12)8-14(13-11)6-4-2/h8H,3-7,9H2,1-2H3
InChIKeyWNJZYZYCHBIDKP-UHFFFAOYSA-N
MW275.19 g/mol
LogP3.37
Rot. Bonds7

About 4-bromo-3-(butoxymethyl)-1-propylpyrazole

4-bromo-3-(butoxymethyl)-1-propylpyrazole (PubChem CID 122170666) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 4-bromo-3-(butoxymethyl)-1-propylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(butoxymethyl)-1-propylpyrazole
PubChem CID122170666
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name4-bromo-3-(butoxymethyl)-1-propylpyrazole
SMILESCCCCOCc1nn(CCC)cc1Br
InChIInChI=1S/C11H19BrN2O/c1-3-5-7-15-9-11-10(12)8-14(13-11)6-4-2/h8H,3-7,9H2,1-2H3
InChIKeyWNJZYZYCHBIDKP-UHFFFAOYSA-N
XLogP3.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-3-(butoxymethyl)-1-propylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-(butoxymethyl)-1-butylpyrazole
CID 122170669
4-bromo-1-butyl-3-(ethoxymethyl)pyrazole
CID 122170633
4-bromo-1-(2-butoxyethyl)-3-iodopyrazole
CID 79785457
2-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-methylethanamine
CID 168982707
4-bromo-3-ethoxy-1-propylpyrazole
CID 164885822
1-(2-butoxyethyl)-3-iodo-4-methylpyrazole
CID 79788109
3-(butoxymethyl)-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 122170414
1-butyl-4-iodo-3-(2-methylpropoxymethyl)pyrazole
CID 122170771
2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 171788500
3-(butoxymethyl)-1-methylpyrazole
CID 122170488
1-butan-2-yl-3-(butoxymethyl)-4-iodopyrazole
CID 122170760
3-(butoxymethyl)-1-ethylpyrazole
CID 122170489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(butoxymethyl)-1-propylpyrazole?
The IUPAC name of 4-bromo-3-(butoxymethyl)-1-propylpyrazole (CID 122170666) is 4-bromo-3-(butoxymethyl)-1-propylpyrazole.
What is the SMILES notation for 4-bromo-3-(butoxymethyl)-1-propylpyrazole?
The canonical SMILES for 4-bromo-3-(butoxymethyl)-1-propylpyrazole is CCCCOCc1nn(CCC)cc1Br.
What is the InChIKey of 4-bromo-3-(butoxymethyl)-1-propylpyrazole?
The InChIKey is WNJZYZYCHBIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-3-5-7-15-9-11-10(12)8-14(13-11)6-4-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-3-(butoxymethyl)-1-propylpyrazole?
4-bromo-3-(butoxymethyl)-1-propylpyrazole has a molecular weight of 275.19 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(butoxymethyl)-1-propylpyrazole is sourced from PubChem (CID 122170666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).