4-bromo-1-ethylpyrazole

C5H7BrN2 — CID 12565201

IUPAC4-bromo-1-ethylpyrazole
SMILESCCn1cc(Br)cn1
InChIInChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKeyIPMSARLBJARXSC-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.67
Rot. Bonds1

About 4-bromo-1-ethylpyrazole

4-bromo-1-ethylpyrazole (PubChem CID 12565201) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 4-bromo-1-ethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-ethylpyrazole
PubChem CID12565201
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name4-bromo-1-ethylpyrazole
SMILESCCn1cc(Br)cn1
InChIInChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKeyIPMSARLBJARXSC-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylpyrazole?
The IUPAC name of 4-bromo-1-ethylpyrazole (CID 12565201) is 4-bromo-1-ethylpyrazole.
What is the SMILES notation for 4-bromo-1-ethylpyrazole?
The canonical SMILES for 4-bromo-1-ethylpyrazole is CCn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-ethylpyrazole?
The InChIKey is IPMSARLBJARXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3.
What are the key properties of 4-bromo-1-ethylpyrazole?
4-bromo-1-ethylpyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylpyrazole is sourced from PubChem (CID 12565201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).