3-amino-1-hexylpyrazole-4-carbonitrile

C10H16N4 — CID 11469588

IUPAC3-amino-1-hexylpyrazole-4-carbonitrile
SMILESCCCCCCn1cc(C#N)c(N)n1
InChIInChI=1S/C10H16N4/c1-2-3-4-5-6-14-8-9(7-11)10(12)13-14/h8H,2-6H2,1H3,(H2,12,13)
InChIKeyMCYITPIMCAEVQL-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.92
Rot. Bonds5

About 3-amino-1-hexylpyrazole-4-carbonitrile

3-amino-1-hexylpyrazole-4-carbonitrile (PubChem CID 11469588) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-amino-1-hexylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-hexylpyrazole-4-carbonitrile
PubChem CID11469588
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-amino-1-hexylpyrazole-4-carbonitrile
SMILESCCCCCCn1cc(C#N)c(N)n1
InChIInChI=1S/C10H16N4/c1-2-3-4-5-6-14-8-9(7-11)10(12)13-14/h8H,2-6H2,1H3,(H2,12,13)
InChIKeyMCYITPIMCAEVQL-UHFFFAOYSA-N
XLogP1.92
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hexylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-hexylpyrazole-4-carbonitrile (CID 11469588) is 3-amino-1-hexylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-hexylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-hexylpyrazole-4-carbonitrile is CCCCCCn1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-hexylpyrazole-4-carbonitrile?
The InChIKey is MCYITPIMCAEVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-3-4-5-6-14-8-9(7-11)10(12)13-14/h8H,2-6H2,1H3,(H2,12,13).
What are the key properties of 3-amino-1-hexylpyrazole-4-carbonitrile?
3-amino-1-hexylpyrazole-4-carbonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hexylpyrazole-4-carbonitrile is sourced from PubChem (CID 11469588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).