4-bromo-5-methyl-1H-pyrazole;ethane

C6H11BrN2 — CID 168964269

IUPAC4-bromo-5-methyl-1H-pyrazole;ethane
SMILESCC.Cc1[nH]ncc1Br
InChIInChI=1S/C4H5BrN2.C2H6/c1-3-4(5)2-6-7-3;1-2/h2H,1H3,(H,6,7);1-2H3
InChIKeyWEAXMPZFRRDGTQ-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.51
Rot. Bonds

About 4-bromo-5-methyl-1H-pyrazole;ethane

4-bromo-5-methyl-1H-pyrazole;ethane (PubChem CID 168964269) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazole;ethane
PubChem CID168964269
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name4-bromo-5-methyl-1H-pyrazole;ethane
SMILESCC.Cc1[nH]ncc1Br
InChIInChI=1S/C4H5BrN2.C2H6/c1-3-4(5)2-6-7-3;1-2/h2H,1H3,(H,6,7);1-2H3
InChIKeyWEAXMPZFRRDGTQ-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazole;ethane?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazole;ethane (CID 168964269) is 4-bromo-5-methyl-1H-pyrazole;ethane.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazole;ethane?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazole;ethane is CC.Cc1[nH]ncc1Br.
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazole;ethane?
The InChIKey is WEAXMPZFRRDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2.C2H6/c1-3-4(5)2-6-7-3;1-2/h2H,1H3,(H,6,7);1-2H3.
What are the key properties of 4-bromo-5-methyl-1H-pyrazole;ethane?
4-bromo-5-methyl-1H-pyrazole;ethane has a molecular weight of 191.07 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-pyrazole;ethane is sourced from PubChem (CID 168964269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).