3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

C16H23N5O — CID 70749732

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)5-6-15(22)21-9-3-4-13(10-21)16-17-7-8-18-16/h7-8,13H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAYTKKPMORNPCGJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 70749732) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID70749732
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)5-6-15(22)21-9-3-4-13(10-21)16-17-7-8-18-16/h7-8,13H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAYTKKPMORNPCGJ-UHFFFAOYSA-N
XLogP2.09
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70740634
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106293
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 122259514
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122260474
2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 136563425
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (CID 70749732) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is Cc1n[nH]c(C)c1CCC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AYTKKPMORNPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)5-6-15(22)21-9-3-4-13(10-21)16-17-7-8-18-16/h7-8,13H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70749732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).