2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile

C15H20N4 — CID 89006241

IUPAC2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile
SMILESC=C(C)CC(C#N)(C#N)Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H20N4/c1-12(2)6-15(10-16,11-17)7-13-8-18-19(9-13)14(3,4)5/h8-9H,1,6-7H2,2-5H3
InChIKeyBYLZDFARTJNAAW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds4

About 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile

2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile (PubChem CID 89006241) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile
PubChem CID89006241
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile
SMILESC=C(C)CC(C#N)(C#N)Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H20N4/c1-12(2)6-15(10-16,11-17)7-13-8-18-19(9-13)14(3,4)5/h8-9H,1,6-7H2,2-5H3
InChIKeyBYLZDFARTJNAAW-UHFFFAOYSA-N
XLogP3.18
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile (CID 89006241) is 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile is C=C(C)CC(C#N)(C#N)Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile?
The InChIKey is BYLZDFARTJNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)6-15(10-16,11-17)7-13-8-18-19(9-13)14(3,4)5/h8-9H,1,6-7H2,2-5H3.
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile?
2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile has a molecular weight of 256.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile is sourced from PubChem (CID 89006241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).