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

C21H28N6O2 — CID 92554277

IUPAC1-[(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
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)on1
InChIInChI=1S/C21H28N6O2/c1-13-10-19(29-24-13)17-11-25(5)23-21(17)18-8-6-7-9-26(18)20(28)12-27-16(4)14(2)15(3)22-27/h10-11,18H,6-9,12H2,1-5H3/t18-/m1/s1
InChIKeyLNSYZSBSIYTNDO-GOSISDBHSA-N
MW396.50 g/mol
LogP3.26
Rot. Bonds4

About 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

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 (PubChem CID 92554277) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID92554277
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-[(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
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)on1
InChIInChI=1S/C21H28N6O2/c1-13-10-19(29-24-13)17-11-25(5)23-21(17)18-8-6-7-9-26(18)20(28)12-27-16(4)14(2)15(3)22-27/h10-11,18H,6-9,12H2,1-5H3/t18-/m1/s1
InChIKeyLNSYZSBSIYTNDO-GOSISDBHSA-N
XLogP3.26
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
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
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
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(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
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91796757
4-thiophen-3-yl-2-[(2R)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 135963789
[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 92596895
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)on1.
What is the InChIKey of 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?
The InChIKey is LNSYZSBSIYTNDO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-13-10-19(29-24-13)17-11-25(5)23-21(17)18-8-6-7-9-26(18)20(28)12-27-16(4)14(2)15(3)22-27/h10-11,18H,6-9,12H2,1-5H3/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 396.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92554277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).