3-bromo-1-cyclopropylpyrazole

C6H7BrN2 — CID 84660826

IUPAC3-bromo-1-cyclopropylpyrazole
SMILESBrc1ccn(C2CC2)n1
InChIInChI=1S/C6H7BrN2/c7-6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2
InChIKeyQCSFJLMFVZULRO-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.98
Rot. Bonds1

About 3-bromo-1-cyclopropylpyrazole

3-bromo-1-cyclopropylpyrazole (PubChem CID 84660826) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-1-cyclopropylpyrazole.

Molecular Properties

Compound Name3-bromo-1-cyclopropylpyrazole
PubChem CID84660826
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-bromo-1-cyclopropylpyrazole
SMILESBrc1ccn(C2CC2)n1
InChIInChI=1S/C6H7BrN2/c7-6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2
InChIKeyQCSFJLMFVZULRO-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopropylpyrazole?
The IUPAC name of 3-bromo-1-cyclopropylpyrazole (CID 84660826) is 3-bromo-1-cyclopropylpyrazole.
What is the SMILES notation for 3-bromo-1-cyclopropylpyrazole?
The canonical SMILES for 3-bromo-1-cyclopropylpyrazole is Brc1ccn(C2CC2)n1.
What is the InChIKey of 3-bromo-1-cyclopropylpyrazole?
The InChIKey is QCSFJLMFVZULRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 3-bromo-1-cyclopropylpyrazole?
3-bromo-1-cyclopropylpyrazole has a molecular weight of 187.04 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopropylpyrazole is sourced from PubChem (CID 84660826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).