4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole

C8H11BrN2 — CID 121211442

IUPAC4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1CBr
InChIInChI=1S/C8H11BrN2/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)
InChIKeyLZALMWZLHHLSCS-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.49
Rot. Bonds2

About 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole

4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole (PubChem CID 121211442) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
PubChem CID121211442
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1CBr
InChIInChI=1S/C8H11BrN2/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)
InChIKeyLZALMWZLHHLSCS-UHFFFAOYSA-N
XLogP2.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?
The IUPAC name of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole (CID 121211442) is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole is Cc1[nH]nc(C2CC2)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?
The InChIKey is LZALMWZLHHLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?
4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole has a molecular weight of 215.09 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 121211442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).