4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole

C8H11BrN2O — CID 155381706

IUPAC4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole
SMILESCOC[C@@H]1C[C@H]1n1cc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-12-5-6-2-8(6)11-4-7(9)3-10-11/h3-4,6,8H,2,5H2,1H3/t6-,8+/m0/s1
InChIKeyOCWIPWQTUFYQLZ-POYBYMJQSA-N
MW231.09 g/mol
LogP1.85
Rot. Bonds3

About 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole

4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole (PubChem CID 155381706) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole
PubChem CID155381706
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole
SMILESCOC[C@@H]1C[C@H]1n1cc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-12-5-6-2-8(6)11-4-7(9)3-10-11/h3-4,6,8H,2,5H2,1H3/t6-,8+/m0/s1
InChIKeyOCWIPWQTUFYQLZ-POYBYMJQSA-N
XLogP1.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole?
The IUPAC name of 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole (CID 155381706) is 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole?
The canonical SMILES for 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole is COC[C@@H]1C[C@H]1n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole?
The InChIKey is OCWIPWQTUFYQLZ-POYBYMJQSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-12-5-6-2-8(6)11-4-7(9)3-10-11/h3-4,6,8H,2,5H2,1H3/t6-,8+/m0/s1.
What are the key properties of 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole?
4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole has a molecular weight of 231.09 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(1R,2R)-2-(methoxymethyl)cyclopropyl]pyrazole is sourced from PubChem (CID 155381706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).