2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C16H23N5O — CID 95780445

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C16H23N5O/c1-12(2)21-9-6-14(19-21)10-16(22)20-8-3-4-13(11-20)15-5-7-17-18-15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyIVZRZOOKGJQOGF-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 95780445) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID95780445
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C16H23N5O/c1-12(2)21-9-6-14(19-21)10-16(22)20-8-3-4-13(11-20)15-5-7-17-18-15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyIVZRZOOKGJQOGF-CYBMUJFWSA-N
XLogP2.14
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768590
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 95780445) is 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CC(C)n1ccc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is IVZRZOOKGJQOGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)21-9-6-14(19-21)10-16(22)20-8-3-4-13(11-20)15-5-7-17-18-15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95780445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).