4-bromo-5-(3-bromopropyl)-1-methylpyrazole

C7H10Br2N2 — CID 114665343

IUPAC4-bromo-5-(3-bromopropyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CCCBr
InChIInChI=1S/C7H10Br2N2/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4H2,1H3
InChIKeyHFADOELPECRRFD-UHFFFAOYSA-N
MW281.98 g/mol
LogP2.51
Rot. Bonds3

About 4-bromo-5-(3-bromopropyl)-1-methylpyrazole

4-bromo-5-(3-bromopropyl)-1-methylpyrazole (PubChem CID 114665343) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 4-bromo-5-(3-bromopropyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-bromopropyl)-1-methylpyrazole
PubChem CID114665343
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name4-bromo-5-(3-bromopropyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CCCBr
InChIInChI=1S/C7H10Br2N2/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4H2,1H3
InChIKeyHFADOELPECRRFD-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 52.51
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

5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
CID 114665346
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662838
3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
CID 114665001
4-bromo-5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 170563364
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
4-bromo-1,5-dimethylpyrazole;ethane
CID 156642673
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
4-bromo-1-methylpyrazol-5-amine;hydrobromide
CID 122156616
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-bromopropyl)-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(3-bromopropyl)-1-methylpyrazole (CID 114665343) is 4-bromo-5-(3-bromopropyl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(3-bromopropyl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(3-bromopropyl)-1-methylpyrazole is Cn1ncc(Br)c1CCCBr.
What is the InChIKey of 4-bromo-5-(3-bromopropyl)-1-methylpyrazole?
The InChIKey is HFADOELPECRRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4H2,1H3.
What are the key properties of 4-bromo-5-(3-bromopropyl)-1-methylpyrazole?
4-bromo-5-(3-bromopropyl)-1-methylpyrazole has a molecular weight of 281.98 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-bromopropyl)-1-methylpyrazole is sourced from PubChem (CID 114665343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).