2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile

C10H16N4O — CID 64975165

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile
SMILESCOCCNC(C#N)c1c(C)n[nH]c1C
InChIInChI=1S/C10H16N4O/c1-7-10(8(2)14-13-7)9(6-11)12-4-5-15-3/h9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyITUXVGGRVVRAOV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile (PubChem CID 64975165) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile
PubChem CID64975165
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile
SMILESCOCCNC(C#N)c1c(C)n[nH]c1C
InChIInChI=1S/C10H16N4O/c1-7-10(8(2)14-13-7)9(6-11)12-4-5-15-3/h9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyITUXVGGRVVRAOV-UHFFFAOYSA-N
XLogP0.83
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile (CID 64975165) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile is COCCNC(C#N)c1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile?
The InChIKey is ITUXVGGRVVRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-10(8(2)14-13-7)9(6-11)12-4-5-15-3/h9,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile is sourced from PubChem (CID 64975165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).