4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole

C10H11BrN2S — CID 121211408

IUPAC4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCc1[nH]nc(-c2cccs2)c1CBr
InChIInChI=1S/C10H11BrN2S/c1-2-8-7(6-11)10(13-12-8)9-4-3-5-14-9/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyZLQFHUHVEWJRFV-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.60
Rot. Bonds3

About 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole

4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole (PubChem CID 121211408) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
PubChem CID121211408
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
SMILESCCc1[nH]nc(-c2cccs2)c1CBr
InChIInChI=1S/C10H11BrN2S/c1-2-8-7(6-11)10(13-12-8)9-4-3-5-14-9/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyZLQFHUHVEWJRFV-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5-ethyl-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole (CID 121211408) is 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole is CCc1[nH]nc(-c2cccs2)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is ZLQFHUHVEWJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-2-8-7(6-11)10(13-12-8)9-4-3-5-14-9/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole?
4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 271.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 121211408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).