2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide

C9H14N4O — CID 64618955

IUPAC2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CC2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-13-3-2-8(12-13)11-9(14)4-7-5-10-6-7/h2-3,7,10H,4-6H2,1H3,(H,11,12,14)
InChIKeyGBZYCULGASSBHA-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.03
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide

2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 64618955) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID64618955
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CC2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-13-3-2-8(12-13)11-9(14)4-7-5-10-6-7/h2-3,7,10H,4-6H2,1H3,(H,11,12,14)
InChIKeyGBZYCULGASSBHA-UHFFFAOYSA-N
XLogP-0.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide (CID 64618955) is 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GBZYCULGASSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-3-2-8(12-13)11-9(14)4-7-5-10-6-7/h2-3,7,10H,4-6H2,1H3,(H,11,12,14).
What are the key properties of 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 64618955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).