5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile

C14H23N3 — CID 82692715

IUPAC5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1cc(CC)n(CCCC(C)(C)C#N)n1
InChIInChI=1S/C14H23N3/c1-5-12-10-13(6-2)17(16-12)9-7-8-14(3,4)11-15/h10H,5-9H2,1-4H3
InChIKeyZHDSMFMZGBNXPX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.34
Rot. Bonds6

About 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile

5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 82692715) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
PubChem CID82692715
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1cc(CC)n(CCCC(C)(C)C#N)n1
InChIInChI=1S/C14H23N3/c1-5-12-10-13(6-2)17(16-12)9-7-8-14(3,4)11-15/h10H,5-9H2,1-4H3
InChIKeyZHDSMFMZGBNXPX-UHFFFAOYSA-N
XLogP3.34
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile (CID 82692715) is 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile is CCc1cc(CC)n(CCCC(C)(C)C#N)n1.
What is the InChIKey of 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is ZHDSMFMZGBNXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-12-10-13(6-2)17(16-12)9-7-8-14(3,4)11-15/h10H,5-9H2,1-4H3.
What are the key properties of 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile?
5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 233.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 82692715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).