5-tert-butylpyrazolidine-3-carbonitrile

C8H15N3 — CID 140634582

IUPAC5-tert-butylpyrazolidine-3-carbonitrile
SMILESCC(C)(C)C1CC(C#N)NN1
InChIInChI=1S/C8H15N3/c1-8(2,3)7-4-6(5-9)10-11-7/h6-7,10-11H,4H2,1-3H3
InChIKeyCVOWCMSUUYWJLT-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.79
Rot. Bonds

About 5-tert-butylpyrazolidine-3-carbonitrile

5-tert-butylpyrazolidine-3-carbonitrile (PubChem CID 140634582) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-tert-butylpyrazolidine-3-carbonitrile.

Molecular Properties

Compound Name5-tert-butylpyrazolidine-3-carbonitrile
PubChem CID140634582
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5-tert-butylpyrazolidine-3-carbonitrile
SMILESCC(C)(C)C1CC(C#N)NN1
InChIInChI=1S/C8H15N3/c1-8(2,3)7-4-6(5-9)10-11-7/h6-7,10-11H,4H2,1-3H3
InChIKeyCVOWCMSUUYWJLT-UHFFFAOYSA-N
XLogP0.79
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butylpyrazolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butylpiperazine-2-carbonitrile
CID 154601249
5-tert-butylpyrazolidin-3-amine;hydrochloride
CID 170905663
3,5-bis(3-methylpentan-3-yl)pyrazolidine
CID 140634581
4-methylpiperidine-2-carbonitrile
CID 18928247
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 89360005
(3S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 129172394
(1S,3S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 66694826
cis-(1R,3S)-3-tert-butyl-5-methylcyclohexane-1-carbonitrile
CID 158711035
5-(2,2-dimethylpropanoyl)piperidine-3-carbonitrile
CID 176833615
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
6,6-dimethylmorpholine-3-carbonitrile
CID 82418197
(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile
CID 138553534

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpyrazolidine-3-carbonitrile?
The IUPAC name of 5-tert-butylpyrazolidine-3-carbonitrile (CID 140634582) is 5-tert-butylpyrazolidine-3-carbonitrile.
What is the SMILES notation for 5-tert-butylpyrazolidine-3-carbonitrile?
The canonical SMILES for 5-tert-butylpyrazolidine-3-carbonitrile is CC(C)(C)C1CC(C#N)NN1.
What is the InChIKey of 5-tert-butylpyrazolidine-3-carbonitrile?
The InChIKey is CVOWCMSUUYWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)7-4-6(5-9)10-11-7/h6-7,10-11H,4H2,1-3H3.
What are the key properties of 5-tert-butylpyrazolidine-3-carbonitrile?
5-tert-butylpyrazolidine-3-carbonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyrazolidine-3-carbonitrile is sourced from PubChem (CID 140634582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).