5-amino-1-butylpyrazole-4-carbonitrile

C8H12N4 — CID 10702172

IUPAC5-amino-1-butylpyrazole-4-carbonitrile
SMILESCCCCn1ncc(C#N)c1N
InChIInChI=1S/C8H12N4/c1-2-3-4-12-8(10)7(5-9)6-11-12/h6H,2-4,10H2,1H3
InChIKeyVNQWYAWATIOYNN-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds3

About 5-amino-1-butylpyrazole-4-carbonitrile

5-amino-1-butylpyrazole-4-carbonitrile (PubChem CID 10702172) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-amino-1-butylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-butylpyrazole-4-carbonitrile
PubChem CID10702172
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-amino-1-butylpyrazole-4-carbonitrile
SMILESCCCCn1ncc(C#N)c1N
InChIInChI=1S/C8H12N4/c1-2-3-4-12-8(10)7(5-9)6-11-12/h6H,2-4,10H2,1H3
InChIKeyVNQWYAWATIOYNN-UHFFFAOYSA-N
XLogP1.14
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-butylpyrazole-4-carbonitrile (CID 10702172) is 5-amino-1-butylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-butylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-butylpyrazole-4-carbonitrile is CCCCn1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-butylpyrazole-4-carbonitrile?
The InChIKey is VNQWYAWATIOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-3-4-12-8(10)7(5-9)6-11-12/h6H,2-4,10H2,1H3.
What are the key properties of 5-amino-1-butylpyrazole-4-carbonitrile?
5-amino-1-butylpyrazole-4-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butylpyrazole-4-carbonitrile is sourced from PubChem (CID 10702172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).