2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

C20H24F2N6O2 — CID 92554279

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C(F)F)cc2C)on1
InChIInChI=1S/C20H24F2N6O2/c1-12-8-17(30-25-12)14-10-26(3)24-19(14)16-6-4-5-7-27(16)18(29)11-28-13(2)9-15(23-28)20(21)22/h8-10,16,20H,4-7,11H2,1-3H3/t16-/m1/s1
InChIKeyMANDHZNEUPARIA-MRXNPFEDSA-N
MW418.45 g/mol
LogP3.58
Rot. Bonds5

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 92554279) has the molecular formula C20H24F2N6O2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID92554279
Molecular FormulaC20H24F2N6O2
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C(F)F)cc2C)on1
InChIInChI=1S/C20H24F2N6O2/c1-12-8-17(30-25-12)14-10-26(3)24-19(14)16-6-4-5-7-27(16)18(29)11-28-13(2)9-15(23-28)20(21)22/h8-10,16,20H,4-7,11H2,1-3H3/t16-/m1/s1
InChIKeyMANDHZNEUPARIA-MRXNPFEDSA-N
XLogP3.58
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 110236249
1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 92554277
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 92554313
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 110218525
2-(3,4-dichlorophenyl)-1-[(2S)-2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554412

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (CID 92554279) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C(F)F)cc2C)on1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is MANDHZNEUPARIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24F2N6O2/c1-12-8-17(30-25-12)14-10-26(3)24-19(14)16-6-4-5-7-27(16)18(29)11-28-13(2)9-15(23-28)20(21)22/h8-10,16,20H,4-7,11H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 418.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92554279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).