[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone

C22H27N5O2 — CID 46086282

IUPAC[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCCC(C)C4)cc3)n2)o1
InChIInChI=1S/C22H27N5O2/c1-14(2)20-12-19(21-24-23-16(4)29-21)25-27(20)18-9-7-17(8-10-18)22(28)26-11-5-6-15(3)13-26/h7-10,12,14-15H,5-6,11,13H2,1-4H3
InChIKeyJXIAWAUMUDGQPQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.23
Rot. Bonds4

About [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone

[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 46086282) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID46086282
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCCC(C)C4)cc3)n2)o1
InChIInChI=1S/C22H27N5O2/c1-14(2)20-12-19(21-24-23-16(4)29-21)25-27(20)18-9-7-17(8-10-18)22(28)26-11-5-6-15(3)13-26/h7-10,12,14-15H,5-6,11,13H2,1-4H3
InChIKeyJXIAWAUMUDGQPQ-UHFFFAOYSA-N
XLogP4.23
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone
CID 46086317
[4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92768506
ethyl 1-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]-5-pentan-3-ylpyrazole-3-carboxylate
CID 92761218
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 92819702
(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
CID 124697990
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone
CID 92771259

Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 46086282) is [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone is Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCCC(C)C4)cc3)n2)o1.
What is the InChIKey of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JXIAWAUMUDGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14(2)20-12-19(21-24-23-16(4)29-21)25-27(20)18-9-7-17(8-10-18)22(28)26-11-5-6-15(3)13-26/h7-10,12,14-15H,5-6,11,13H2,1-4H3.
What are the key properties of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46086282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).