5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile

C10H16N6 — CID 137333328

IUPAC5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile
SMILESCC(C)N(/N=N/c1[nH]ncc1C#N)C(C)C
InChIInChI=1S/C10H16N6/c1-7(2)16(8(3)4)15-14-10-9(5-11)6-12-13-10/h6-8H,1-4H3,(H,12,13)/b15-14+
InChIKeyUCPMQTTXXMXIFF-CCEZHUSRSA-N
MW220.28 g/mol
LogP2.40
Rot. Bonds4

About 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile

5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 137333328) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile
PubChem CID137333328
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile
SMILESCC(C)N(/N=N/c1[nH]ncc1C#N)C(C)C
InChIInChI=1S/C10H16N6/c1-7(2)16(8(3)4)15-14-10-9(5-11)6-12-13-10/h6-8H,1-4H3,(H,12,13)/b15-14+
InChIKeyUCPMQTTXXMXIFF-CCEZHUSRSA-N
XLogP2.40
TPSA80.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile (CID 137333328) is 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile is CC(C)N(/N=N/c1[nH]ncc1C#N)C(C)C.
What is the InChIKey of 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is UCPMQTTXXMXIFF-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H16N6/c1-7(2)16(8(3)4)15-14-10-9(5-11)6-12-13-10/h6-8H,1-4H3,(H,12,13)/b15-14+.
What are the key properties of 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile?
5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 137333328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).