4-bromo-5-cyclopropyl-1-methylpyrazole

C7H9BrN2 — CID 70800682

IUPAC4-bromo-5-cyclopropyl-1-methylpyrazole
SMILESCn1ncc(Br)c1C1CC1
InChIInChI=1S/C7H9BrN2/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3H2,1H3
InChIKeyIKXRKZYTKXYDNI-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.06
Rot. Bonds1

About 4-bromo-5-cyclopropyl-1-methylpyrazole

4-bromo-5-cyclopropyl-1-methylpyrazole (PubChem CID 70800682) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-1-methylpyrazole
PubChem CID70800682
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name4-bromo-5-cyclopropyl-1-methylpyrazole
SMILESCn1ncc(Br)c1C1CC1
InChIInChI=1S/C7H9BrN2/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3H2,1H3
InChIKeyIKXRKZYTKXYDNI-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-cyclopropyl-1-methylpyrazole (CID 70800682) is 4-bromo-5-cyclopropyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-1-methylpyrazole is Cn1ncc(Br)c1C1CC1.
What is the InChIKey of 4-bromo-5-cyclopropyl-1-methylpyrazole?
The InChIKey is IKXRKZYTKXYDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-5-cyclopropyl-1-methylpyrazole?
4-bromo-5-cyclopropyl-1-methylpyrazole has a molecular weight of 201.07 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-1-methylpyrazole is sourced from PubChem (CID 70800682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).