N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide

C7H12N4O — CID 131059611

IUPACN-(cyanomethyl)-2-pyrazolidin-1-ylacetamide
SMILESN#CCNC(=O)CN1CCCN1
InChIInChI=1S/C7H12N4O/c8-2-4-9-7(12)6-11-5-1-3-10-11/h10H,1,3-6H2,(H,9,12)
InChIKeyCLQUSRJABNESRU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.16
Rot. Bonds3

About N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide

N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide (PubChem CID 131059611) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-pyrazolidin-1-ylacetamide
PubChem CID131059611
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(cyanomethyl)-2-pyrazolidin-1-ylacetamide
SMILESN#CCNC(=O)CN1CCCN1
InChIInChI=1S/C7H12N4O/c8-2-4-9-7(12)6-11-5-1-3-10-11/h10H,1,3-6H2,(H,9,12)
InChIKeyCLQUSRJABNESRU-UHFFFAOYSA-N
XLogP-1.16
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-benzyl-2-pyrazolidin-1-ylacetamide
CID 130927629
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
CID 130949306

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide?
The IUPAC name of N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide (CID 131059611) is N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide is N#CCNC(=O)CN1CCCN1.
What is the InChIKey of N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide?
The InChIKey is CLQUSRJABNESRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-2-4-9-7(12)6-11-5-1-3-10-11/h10H,1,3-6H2,(H,9,12).
What are the key properties of N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide?
N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide has a molecular weight of 168.20 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide is sourced from PubChem (CID 131059611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).