4-bromo-3-cyclopropyl-1-propylpyrazole

C9H13BrN2 — CID 50896550

IUPAC4-bromo-3-cyclopropyl-1-propylpyrazole
SMILESCCCn1cc(Br)c(C2CC2)n1
InChIInChI=1S/C9H13BrN2/c1-2-5-12-6-8(10)9(11-12)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyGOMHKFKQHDFEJB-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.93
Rot. Bonds3

About 4-bromo-3-cyclopropyl-1-propylpyrazole

4-bromo-3-cyclopropyl-1-propylpyrazole (PubChem CID 50896550) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-bromo-3-cyclopropyl-1-propylpyrazole.

Molecular Properties

Compound Name4-bromo-3-cyclopropyl-1-propylpyrazole
PubChem CID50896550
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name4-bromo-3-cyclopropyl-1-propylpyrazole
SMILESCCCn1cc(Br)c(C2CC2)n1
InChIInChI=1S/C9H13BrN2/c1-2-5-12-6-8(10)9(11-12)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyGOMHKFKQHDFEJB-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclopropyl-1-propylpyrazole?
The IUPAC name of 4-bromo-3-cyclopropyl-1-propylpyrazole (CID 50896550) is 4-bromo-3-cyclopropyl-1-propylpyrazole.
What is the SMILES notation for 4-bromo-3-cyclopropyl-1-propylpyrazole?
The canonical SMILES for 4-bromo-3-cyclopropyl-1-propylpyrazole is CCCn1cc(Br)c(C2CC2)n1.
What is the InChIKey of 4-bromo-3-cyclopropyl-1-propylpyrazole?
The InChIKey is GOMHKFKQHDFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-2-5-12-6-8(10)9(11-12)7-3-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 4-bromo-3-cyclopropyl-1-propylpyrazole?
4-bromo-3-cyclopropyl-1-propylpyrazole has a molecular weight of 229.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopropyl-1-propylpyrazole is sourced from PubChem (CID 50896550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).