2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C20H24N6O — CID 16670929

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(c3[nH]ncc3-c3ccncc3)C2)n1
InChIInChI=1S/C20H24N6O/c1-14-10-15(2)26(24-14)13-19(27)25-9-3-4-17(12-25)20-18(11-22-23-20)16-5-7-21-8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,22,23)
InChIKeyFIDSAIFPZLOAKK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.69
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 16670929) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID16670929
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(c3[nH]ncc3-c3ccncc3)C2)n1
InChIInChI=1S/C20H24N6O/c1-14-10-15(2)26(24-14)13-19(27)25-9-3-4-17(12-25)20-18(11-22-23-20)16-5-7-21-8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,22,23)
InChIKeyFIDSAIFPZLOAKK-UHFFFAOYSA-N
XLogP2.69
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110224842
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 110214007
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 129479687
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 16670929) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(c3[nH]ncc3-c3ccncc3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is FIDSAIFPZLOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-10-15(2)26(24-14)13-19(27)25-9-3-4-17(12-25)20-18(11-22-23-20)16-5-7-21-8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 16670929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).