5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C9H8BrN5 — CID 131165438

IUPAC5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccc(Br)n2)c1C#N
InChIInChI=1S/C9H8BrN5/c1-6-7(5-11)9(14(2)12-6)15-4-3-8(10)13-15/h3-4H,1-2H3
InChIKeyGXFDOGPSJXUTBX-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.55
Rot. Bonds1

About 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 131165438) has the molecular formula C9H8BrN5 and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID131165438
Molecular FormulaC9H8BrN5
Molecular Weight266.10 g/mol
Exact Mass265.00
IUPAC Name5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccc(Br)n2)c1C#N
InChIInChI=1S/C9H8BrN5/c1-6-7(5-11)9(14(2)12-6)15-4-3-8(10)13-15/h3-4H,1-2H3
InChIKeyGXFDOGPSJXUTBX-UHFFFAOYSA-N
XLogP1.55
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 131165438) is 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(-n2ccc(Br)n2)c1C#N.
What is the InChIKey of 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is GXFDOGPSJXUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5/c1-6-7(5-11)9(14(2)12-6)15-4-3-8(10)13-15/h3-4H,1-2H3.
What are the key properties of 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 266.10 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopyrazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 131165438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).