3-bromo-5-methyl-1-propan-2-ylpyrazole

C7H11BrN2 — CID 66509449

IUPAC3-bromo-5-methyl-1-propan-2-ylpyrazole
SMILESCc1cc(Br)nn1C(C)C
InChIInChI=1S/C7H11BrN2/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3
InChIKeyABBVFXPIASJIAN-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.53
Rot. Bonds1

About 3-bromo-5-methyl-1-propan-2-ylpyrazole

3-bromo-5-methyl-1-propan-2-ylpyrazole (PubChem CID 66509449) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 3-bromo-5-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-bromo-5-methyl-1-propan-2-ylpyrazole
PubChem CID66509449
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name3-bromo-5-methyl-1-propan-2-ylpyrazole
SMILESCc1cc(Br)nn1C(C)C
InChIInChI=1S/C7H11BrN2/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3
InChIKeyABBVFXPIASJIAN-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-bromo-5-methyl-1-propan-2-ylpyrazole (CID 66509449) is 3-bromo-5-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-bromo-5-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-bromo-5-methyl-1-propan-2-ylpyrazole is Cc1cc(Br)nn1C(C)C.
What is the InChIKey of 3-bromo-5-methyl-1-propan-2-ylpyrazole?
The InChIKey is ABBVFXPIASJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3.
What are the key properties of 3-bromo-5-methyl-1-propan-2-ylpyrazole?
3-bromo-5-methyl-1-propan-2-ylpyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 66509449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).