[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

C23H29N5O2 — CID 92769010

IUPAC[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCCC[C@H]4C)c3)n2)o1
InChIInChI=1S/C23H29N5O2/c1-15(2)12-20-14-21(22-25-24-17(4)30-22)26-28(20)19-10-7-9-18(13-19)23(29)27-11-6-5-8-16(27)3/h7,9-10,13-16H,5-6,8,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYOYXSZFDFGYEOZ-MRXNPFEDSA-N
MW407.52 g/mol
LogP4.44
Rot. Bonds5

About [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 92769010) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID92769010
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCCC[C@H]4C)c3)n2)o1
InChIInChI=1S/C23H29N5O2/c1-15(2)12-20-14-21(22-25-24-17(4)30-22)26-28(20)19-10-7-9-18(13-19)23(29)27-11-6-5-8-16(27)3/h7,9-10,13-16H,5-6,8,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYOYXSZFDFGYEOZ-MRXNPFEDSA-N
XLogP4.44
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 42691473
N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide
CID 46086524
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 46086567
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
CID 92770721
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
[4-[5-(4-methoxyphenyl)-4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 46086288
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46086282
2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179313
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366

Frequently Asked Questions

What is the IUPAC name of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 92769010) is [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCCC[C@H]4C)c3)n2)o1.
What is the InChIKey of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is YOYXSZFDFGYEOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)12-20-14-21(22-25-24-17(4)30-22)26-28(20)19-10-7-9-18(13-19)23(29)27-11-6-5-8-16(27)3/h7,9-10,13-16H,5-6,8,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92769010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).