4-bromo-1,5-dimethylpyrazole;ethane

C7H13BrN2 — CID 156642673

IUPAC4-bromo-1,5-dimethylpyrazole;ethane
SMILESCC.Cc1c(Br)cnn1C
InChIInChI=1S/C5H7BrN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyJQIKDSLDCQWHFH-UHFFFAOYSA-N
MW205.10 g/mol
LogP2.52
Rot. Bonds

About 4-bromo-1,5-dimethylpyrazole;ethane

4-bromo-1,5-dimethylpyrazole;ethane (PubChem CID 156642673) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 4-bromo-1,5-dimethylpyrazole;ethane.

Molecular Properties

Compound Name4-bromo-1,5-dimethylpyrazole;ethane
PubChem CID156642673
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name4-bromo-1,5-dimethylpyrazole;ethane
SMILESCC.Cc1c(Br)cnn1C
InChIInChI=1S/C5H7BrN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyJQIKDSLDCQWHFH-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-fluoro-1,5-dimethylpyrazole
CID 143958566
4-bromo-1-methylpyrazol-5-amine;hydrobromide
CID 122156616
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
1,5-dimethylpyrazole-4-sulfonamide
CID 13342781
4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 4773000
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
1-(4-bromo-1-methylpyrazol-5-yl)pyrrole-2,5-dione
CID 2808845
7-bromo-1,4-dimethylindazole
CID 131422474
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105183464

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethylpyrazole;ethane?
The IUPAC name of 4-bromo-1,5-dimethylpyrazole;ethane (CID 156642673) is 4-bromo-1,5-dimethylpyrazole;ethane.
What is the SMILES notation for 4-bromo-1,5-dimethylpyrazole;ethane?
The canonical SMILES for 4-bromo-1,5-dimethylpyrazole;ethane is CC.Cc1c(Br)cnn1C.
What is the InChIKey of 4-bromo-1,5-dimethylpyrazole;ethane?
The InChIKey is JQIKDSLDCQWHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 4-bromo-1,5-dimethylpyrazole;ethane?
4-bromo-1,5-dimethylpyrazole;ethane has a molecular weight of 205.10 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethylpyrazole;ethane is sourced from PubChem (CID 156642673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).