4-bromo-1-methylpyrazole-3-carbonitrile;ethane

C7H10BrN3 — CID 144505722

IUPAC4-bromo-1-methylpyrazole-3-carbonitrile;ethane
SMILESCC.Cn1cc(Br)c(C#N)n1
InChIInChI=1S/C5H4BrN3.C2H6/c1-9-3-4(6)5(2-7)8-9;1-2/h3H,1H3;1-2H3
InChIKeyFSDJSTASENAERK-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.08
Rot. Bonds

About 4-bromo-1-methylpyrazole-3-carbonitrile;ethane

4-bromo-1-methylpyrazole-3-carbonitrile;ethane (PubChem CID 144505722) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazole-3-carbonitrile;ethane.

Molecular Properties

Compound Name4-bromo-1-methylpyrazole-3-carbonitrile;ethane
PubChem CID144505722
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name4-bromo-1-methylpyrazole-3-carbonitrile;ethane
SMILESCC.Cn1cc(Br)c(C#N)n1
InChIInChI=1S/C5H4BrN3.C2H6/c1-9-3-4(6)5(2-7)8-9;1-2/h3H,1H3;1-2H3
InChIKeyFSDJSTASENAERK-UHFFFAOYSA-N
XLogP2.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-methylpyrazole-3-carbonitrile;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-1,3-dimethyl-1H-pyrazole
CID 12615416
4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2794651
1-Methyl-1H-pyrazole-3-carbonitrile
CID 12747510
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 11831205
4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile
CID 60136631
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 4773286
4-bromo-1-methyl-1H-pyrazole-5-carbonitrile
CID 759273
4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
CID 19620698
2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile
CID 60136507
4-bromo-3-(chloromethyl)-1-methyl-1H-pyrazole
CID 24229714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrazole-3-carbonitrile;ethane?
The IUPAC name of 4-bromo-1-methylpyrazole-3-carbonitrile;ethane (CID 144505722) is 4-bromo-1-methylpyrazole-3-carbonitrile;ethane.
What is the SMILES notation for 4-bromo-1-methylpyrazole-3-carbonitrile;ethane?
The canonical SMILES for 4-bromo-1-methylpyrazole-3-carbonitrile;ethane is CC.Cn1cc(Br)c(C#N)n1.
What is the InChIKey of 4-bromo-1-methylpyrazole-3-carbonitrile;ethane?
The InChIKey is FSDJSTASENAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3.C2H6/c1-9-3-4(6)5(2-7)8-9;1-2/h3H,1H3;1-2H3.
What are the key properties of 4-bromo-1-methylpyrazole-3-carbonitrile;ethane?
4-bromo-1-methylpyrazole-3-carbonitrile;ethane has a molecular weight of 216.08 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrazole-3-carbonitrile;ethane is sourced from PubChem (CID 144505722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).