N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide

C11H15N5O — CID 56781223

IUPACN-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CC(n2cccn2)C1
InChIInChI=1S/C11H15N5O/c12-3-1-4-13-11(17)9-15-7-10(8-15)16-6-2-5-14-16/h2,5-6,10H,1,4,7-9H2,(H,13,17)
InChIKeyVXUNEKDUCHXOQG-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide

N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide (PubChem CID 56781223) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
PubChem CID56781223
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CC(n2cccn2)C1
InChIInChI=1S/C11H15N5O/c12-3-1-4-13-11(17)9-15-7-10(8-15)16-6-2-5-14-16/h2,5-6,10H,1,4,7-9H2,(H,13,17)
InChIKeyVXUNEKDUCHXOQG-UHFFFAOYSA-N
XLogP-0.23
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 71932826
2-(1H-pyrazol-1-yl)propanamide
CID 25248322
2-(4-amino-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
CID 28373998
N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150
2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49670618
N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463020
4-[2-(1-Pyrazol-1-ylpropan-2-ylamino)acetyl]piperazin-2-one
CID 72140813
N~2~-[(dimethylamino)carbonyl]-N~1~-ethyl-N~1~-[2-(1H-pyrazol-1-yl)ethyl]glycinamide
CID 77091501
(2S)-1-piperidin-1-yl-2-(2-pyrazol-1-ylethylamino)propan-1-one
CID 93875102
(2S)-N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)propanamide
CID 93875112

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide (CID 56781223) is N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide is N#CCCNC(=O)CN1CC(n2cccn2)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The InChIKey is VXUNEKDUCHXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-3-1-4-13-11(17)9-15-7-10(8-15)16-6-2-5-14-16/h2,5-6,10H,1,4,7-9H2,(H,13,17).
What are the key properties of N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide has a molecular weight of 233.27 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide is sourced from PubChem (CID 56781223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).