5-(2-bromoethyl)-1H-pyrazole

C5H7BrN2 — CID 565479

IUPAC5-(2-bromoethyl)-1H-pyrazole
SMILESBrCCc1ccn[nH]1
InChIInChI=1S/C5H7BrN2/c6-3-1-5-2-4-7-8-5/h2,4H,1,3H2,(H,7,8)
InChIKeyDBPLFZZPCCTMPY-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.35
Rot. Bonds2

About 5-(2-bromoethyl)-1H-pyrazole

5-(2-bromoethyl)-1H-pyrazole (PubChem CID 565479) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 5-(2-bromoethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-bromoethyl)-1H-pyrazole
PubChem CID565479
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name5-(2-bromoethyl)-1H-pyrazole
SMILESBrCCc1ccn[nH]1
InChIInChI=1S/C5H7BrN2/c6-3-1-5-2-4-7-8-5/h2,4H,1,3H2,(H,7,8)
InChIKeyDBPLFZZPCCTMPY-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
5-pentyl-1H-pyrazole
CID 13433979
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
3-(1H-pyrazol-5-yl)propanenitrile
CID 59681732
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
5-(2-methylsulfinylethyl)-1H-pyrazole
CID 137377880
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-1H-pyrazole?
The IUPAC name of 5-(2-bromoethyl)-1H-pyrazole (CID 565479) is 5-(2-bromoethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-bromoethyl)-1H-pyrazole?
The canonical SMILES for 5-(2-bromoethyl)-1H-pyrazole is BrCCc1ccn[nH]1.
What is the InChIKey of 5-(2-bromoethyl)-1H-pyrazole?
The InChIKey is DBPLFZZPCCTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c6-3-1-5-2-4-7-8-5/h2,4H,1,3H2,(H,7,8).
What are the key properties of 5-(2-bromoethyl)-1H-pyrazole?
5-(2-bromoethyl)-1H-pyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-1H-pyrazole is sourced from PubChem (CID 565479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).