2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile

C11H17N3 — CID 65255335

IUPAC2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile
SMILESCc1ccn(CCCC(C)(C)C#N)n1
InChIInChI=1S/C11H17N3/c1-10-5-8-14(13-10)7-4-6-11(2,3)9-12/h5,8H,4,6-7H2,1-3H3
InChIKeyQEHOSVJEKFYRGB-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.52
Rot. Bonds4

About 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile

2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile (PubChem CID 65255335) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile
PubChem CID65255335
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile
SMILESCc1ccn(CCCC(C)(C)C#N)n1
InChIInChI=1S/C11H17N3/c1-10-5-8-14(13-10)7-4-6-11(2,3)9-12/h5,8H,4,6-7H2,1-3H3
InChIKeyQEHOSVJEKFYRGB-UHFFFAOYSA-N
XLogP2.52
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile (CID 65255335) is 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile is Cc1ccn(CCCC(C)(C)C#N)n1.
What is the InChIKey of 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile?
The InChIKey is QEHOSVJEKFYRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-5-8-14(13-10)7-4-6-11(2,3)9-12/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile?
2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile has a molecular weight of 191.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 65255335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).