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

C7H11BrN2O — CID 66760407

IUPAC4-bromo-1-(2-methoxypropyl)pyrazole
SMILESCOC(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-6(11-2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKeyOOUXQOLIEIZQBF-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.68
Rot. Bonds3

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

4-bromo-1-(2-methoxypropyl)pyrazole (PubChem CID 66760407) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxypropyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxypropyl)pyrazole
PubChem CID66760407
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name4-bromo-1-(2-methoxypropyl)pyrazole
SMILESCOC(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-6(11-2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKeyOOUXQOLIEIZQBF-UHFFFAOYSA-N
XLogP1.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
4-bromo-1-(2,2-diethoxyethyl)pyrazole
CID 19616899
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
CID 115890386
ethyl 4-(4-bromopyrazol-1-yl)-3-hydroxybutanoate
CID 82775509
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285
(2S)-1-(azepan-1-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropan-1-one
CID 35527714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxypropyl)pyrazole?
The IUPAC name of 4-bromo-1-(2-methoxypropyl)pyrazole (CID 66760407) is 4-bromo-1-(2-methoxypropyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(2-methoxypropyl)pyrazole?
The canonical SMILES for 4-bromo-1-(2-methoxypropyl)pyrazole is COC(C)Cn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(2-methoxypropyl)pyrazole?
The InChIKey is OOUXQOLIEIZQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-6(11-2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-bromo-1-(2-methoxypropyl)pyrazole?
4-bromo-1-(2-methoxypropyl)pyrazole has a molecular weight of 219.08 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxypropyl)pyrazole is sourced from PubChem (CID 66760407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).