2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C16H21N5O2 — CID 86286203

IUPAC2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C16H21N5O2/c17-14-8-19-21(9-14)11-16(22)20-6-2-4-15(10-20)23-12-13-3-1-5-18-7-13/h1,3,5,7-9,15H,2,4,6,10-12,17H2
InChIKeyHYHILBHLGOMRGV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.07
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 86286203) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID86286203
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C16H21N5O2/c17-14-8-19-21(9-14)11-16(22)20-6-2-4-15(10-20)23-12-13-3-1-5-18-7-13/h1,3,5,7-9,15H,2,4,6,10-12,17H2
InChIKeyHYHILBHLGOMRGV-UHFFFAOYSA-N
XLogP1.07
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone 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

2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70786893
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
1-(4-fluorophenyl)-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1,4-dione
CID 70722359
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131895658
3-(2-methylimidazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70709835
2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 70786365

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 86286203) is 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is Nc1cnn(CC(=O)N2CCCC(OCc3cccnc3)C2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is HYHILBHLGOMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-14-8-19-21(9-14)11-16(22)20-6-2-4-15(10-20)23-12-13-3-1-5-18-7-13/h1,3,5,7-9,15H,2,4,6,10-12,17H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 86286203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).