5-(bromomethyl)-1-methylpyrazole

C5H7BrN2 — CID 59589503

IUPAC5-(bromomethyl)-1-methylpyrazole
SMILESCn1nccc1CBr
InChIInChI=1S/C5H7BrN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3
InChIKeyBTLMVZUBDGLVNM-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.32
Rot. Bonds1

About 5-(bromomethyl)-1-methylpyrazole

5-(bromomethyl)-1-methylpyrazole (PubChem CID 59589503) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-(bromomethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(bromomethyl)-1-methylpyrazole
PubChem CID59589503
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-(bromomethyl)-1-methylpyrazole
SMILESCn1nccc1CBr
InChIInChI=1S/C5H7BrN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3
InChIKeyBTLMVZUBDGLVNM-UHFFFAOYSA-N
XLogP1.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.32
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

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5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
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CID 103016082
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
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CID 106844750
3-bromo-N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-methylpyrazole?
The IUPAC name of 5-(bromomethyl)-1-methylpyrazole (CID 59589503) is 5-(bromomethyl)-1-methylpyrazole.
What is the SMILES notation for 5-(bromomethyl)-1-methylpyrazole?
The canonical SMILES for 5-(bromomethyl)-1-methylpyrazole is Cn1nccc1CBr.
What is the InChIKey of 5-(bromomethyl)-1-methylpyrazole?
The InChIKey is BTLMVZUBDGLVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3.
What are the key properties of 5-(bromomethyl)-1-methylpyrazole?
5-(bromomethyl)-1-methylpyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-methylpyrazole is sourced from PubChem (CID 59589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).