2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone

C13H21N5O — CID 91791458

IUPAC2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
SMILESNc1cnn(CC(=O)N2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C13H21N5O/c14-11-6-15-18(7-11)10-13(19)17-8-12(9-17)16-4-2-1-3-5-16/h6-7,12H,1-5,8-10,14H2
InChIKeyMRMLCOUUPPIYDG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.16
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone

2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone (PubChem CID 91791458) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
PubChem CID91791458
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
SMILESNc1cnn(CC(=O)N2CC(N3CCCCC3)C2)c1
InChIInChI=1S/C13H21N5O/c14-11-6-15-18(7-11)10-13(19)17-8-12(9-17)16-4-2-1-3-5-16/h6-7,12H,1-5,8-10,14H2
InChIKeyMRMLCOUUPPIYDG-UHFFFAOYSA-N
XLogP0.16
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone (CID 91791458) is 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone is Nc1cnn(CC(=O)N2CC(N3CCCCC3)C2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The InChIKey is MRMLCOUUPPIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-11-6-15-18(7-11)10-13(19)17-8-12(9-17)16-4-2-1-3-5-16/h6-7,12H,1-5,8-10,14H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-(3-piperidin-1-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 91791458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).