[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone

C23H27N5O2 — CID 42691473

IUPAC[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1
InChIInChI=1S/C23H27N5O2/c1-3-18-8-4-5-12-27(18)23(29)17-7-6-9-19(13-17)28-21(16-10-11-16)14-20(26-28)22-25-24-15(2)30-22/h6-7,9,13-14,16,18H,3-5,8,10-12H2,1-2H3
InChIKeyOKZJHGKZUAZJLI-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.51
Rot. Bonds5

About [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone

[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 42691473) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID42691473
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1
InChIInChI=1S/C23H27N5O2/c1-3-18-8-4-5-12-27(18)23(29)17-7-6-9-19(13-17)28-21(16-10-11-16)14-20(26-28)22-25-24-15(2)30-22/h6-7,9,13-14,16,18H,3-5,8,10-12H2,1-2H3
InChIKeyOKZJHGKZUAZJLI-UHFFFAOYSA-N
XLogP4.51
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[(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]-N-(pyridin-2-ylmethyl)benzamide
CID 46086418
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 92614139
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639

Frequently Asked Questions

What is the IUPAC name of [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone (CID 42691473) is [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1.
What is the InChIKey of [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is OKZJHGKZUAZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-18-8-4-5-12-27(18)23(29)17-7-6-9-19(13-17)28-21(16-10-11-16)14-20(26-28)22-25-24-15(2)30-22/h6-7,9,13-14,16,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone?
[3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 42691473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).