4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane

C8H15BrN2O — CID 176927489

IUPAC4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane
SMILESCC.CCOCc1[nH]ncc1Br
InChIInChI=1S/C6H9BrN2O.C2H6/c1-2-10-4-6-5(7)3-8-9-6;1-2/h3H,2,4H2,1H3,(H,8,9);1-2H3
InChIKeyTWNIJCPEBZIVNP-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane

4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane (PubChem CID 176927489) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane.

Molecular Properties

Compound Name4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane
PubChem CID176927489
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane
SMILESCC.CCOCc1[nH]ncc1Br
InChIInChI=1S/C6H9BrN2O.C2H6/c1-2-10-4-6-5(7)3-8-9-6;1-2/h3H,2,4H2,1H3,(H,8,9);1-2H3
InChIKeyTWNIJCPEBZIVNP-UHFFFAOYSA-N
XLogP2.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
2-(4-bromo-1H-pyrazol-5-yl)ethanol
CID 84662969
4-bromo-5-methyl-1H-pyrazole;ethane
CID 168964269
3-(4-bromo-1H-pyrazol-5-yl)propan-1-amine
CID 83881742
N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide
CID 4584368
ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
4-chloro-5-ethyl-1H-pyrazole;ethane
CID 176927046
1-bromo-2-(bromomethyl)-4-(ethoxymethyl)benzene
CID 67352106
5-bromo-4-ethyl-1H-pyrazole
CID 84655098
ethane;5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 176568789
magnesium;bromoethane;ethoxyethane;hydride
CID 173109208
4-(ethylperoxymethyl)-1H-pyrazol-5-amine
CID 23541184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane?
The IUPAC name of 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane (CID 176927489) is 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane.
What is the SMILES notation for 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane?
The canonical SMILES for 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane is CC.CCOCc1[nH]ncc1Br.
What is the InChIKey of 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane?
The InChIKey is TWNIJCPEBZIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O.C2H6/c1-2-10-4-6-5(7)3-8-9-6;1-2/h3H,2,4H2,1H3,(H,8,9);1-2H3.
What are the key properties of 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane?
4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane has a molecular weight of 235.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane is sourced from PubChem (CID 176927489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).