5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile

C16H20N4 — CID 65254342

IUPAC5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(-c2ccc(N)cc2)cn1
InChIInChI=1S/C16H20N4/c1-16(2,12-17)8-3-9-20-11-14(10-19-20)13-4-6-15(18)7-5-13/h4-7,10-11H,3,8-9,18H2,1-2H3
InChIKeyWWMTZCWIMREIEC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds5

About 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile

5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 65254342) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile
PubChem CID65254342
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(-c2ccc(N)cc2)cn1
InChIInChI=1S/C16H20N4/c1-16(2,12-17)8-3-9-20-11-14(10-19-20)13-4-6-15(18)7-5-13/h4-7,10-11H,3,8-9,18H2,1-2H3
InChIKeyWWMTZCWIMREIEC-UHFFFAOYSA-N
XLogP3.46
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile (CID 65254342) is 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1cc(-c2ccc(N)cc2)cn1.
What is the InChIKey of 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is WWMTZCWIMREIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2,12-17)8-3-9-20-11-14(10-19-20)13-4-6-15(18)7-5-13/h4-7,10-11H,3,8-9,18H2,1-2H3.
What are the key properties of 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile?
5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 268.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).