4-bromo-1-(2-methylpropyl)pyrazole

C7H11BrN2 — CID 51892115

IUPAC4-bromo-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKeyHDXYNFLYDLDONH-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.30
Rot. Bonds2

About 4-bromo-1-(2-methylpropyl)pyrazole

4-bromo-1-(2-methylpropyl)pyrazole (PubChem CID 51892115) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 4-bromo-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methylpropyl)pyrazole
PubChem CID51892115
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name4-bromo-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKeyHDXYNFLYDLDONH-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylpropyl)pyrazole?
The IUPAC name of 4-bromo-1-(2-methylpropyl)pyrazole (CID 51892115) is 4-bromo-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 4-bromo-1-(2-methylpropyl)pyrazole is CC(C)Cn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(2-methylpropyl)pyrazole?
The InChIKey is HDXYNFLYDLDONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-bromo-1-(2-methylpropyl)pyrazole?
4-bromo-1-(2-methylpropyl)pyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 51892115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).