3,5-dibromo-1-(3-methoxypropyl)pyrazole

C7H10Br2N2O — CID 114692681

IUPAC3,5-dibromo-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1nc(Br)cc1Br
InChIInChI=1S/C7H10Br2N2O/c1-12-4-2-3-11-7(9)5-6(8)10-11/h5H,2-4H2,1H3
InChIKeyDPTKVCSAKWNGJF-UHFFFAOYSA-N
MW297.98 g/mol
LogP2.44
Rot. Bonds4

About 3,5-dibromo-1-(3-methoxypropyl)pyrazole

3,5-dibromo-1-(3-methoxypropyl)pyrazole (PubChem CID 114692681) has the molecular formula C7H10Br2N2O and a molecular weight of 297.98 g/mol. Its IUPAC name is 3,5-dibromo-1-(3-methoxypropyl)pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-(3-methoxypropyl)pyrazole
PubChem CID114692681
Molecular FormulaC7H10Br2N2O
Molecular Weight297.98 g/mol
Exact Mass295.92
IUPAC Name3,5-dibromo-1-(3-methoxypropyl)pyrazole
SMILESCOCCCn1nc(Br)cc1Br
InChIInChI=1S/C7H10Br2N2O/c1-12-4-2-3-11-7(9)5-6(8)10-11/h5H,2-4H2,1H3
InChIKeyDPTKVCSAKWNGJF-UHFFFAOYSA-N
XLogP2.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.98
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole
CID 114692436
3,5-dibromo-1-(3-methoxy-3-methylbutyl)pyrazole
CID 102975350
3,5-dibromo-1-(2-ethylsulfanylethyl)pyrazole
CID 114692732
2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
CID 114692675
3,5-dibromo-1-(3-methylbut-3-enyl)pyrazole
CID 114692453
5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole
CID 114692404
3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
CID 114692645
4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
CID 104952375
trifluoro-[1-(3-methoxypropyl)-3-methylpyrazol-5-yl]boranuide
CID 165170534
3-butyl-1-(3-methoxypropyl)pyrazol-5-amine
CID 174636932
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(3-methoxypropyl)pyrazole?
The IUPAC name of 3,5-dibromo-1-(3-methoxypropyl)pyrazole (CID 114692681) is 3,5-dibromo-1-(3-methoxypropyl)pyrazole.
What is the SMILES notation for 3,5-dibromo-1-(3-methoxypropyl)pyrazole?
The canonical SMILES for 3,5-dibromo-1-(3-methoxypropyl)pyrazole is COCCCn1nc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1-(3-methoxypropyl)pyrazole?
The InChIKey is DPTKVCSAKWNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2O/c1-12-4-2-3-11-7(9)5-6(8)10-11/h5H,2-4H2,1H3.
What are the key properties of 3,5-dibromo-1-(3-methoxypropyl)pyrazole?
3,5-dibromo-1-(3-methoxypropyl)pyrazole has a molecular weight of 297.98 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(3-methoxypropyl)pyrazole is sourced from PubChem (CID 114692681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).