(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone

C26H34N6O2 — CID 55746987

IUPAC(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4cc(C5CC5)nn4C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C26H34N6O2/c1-17-6-8-20(9-7-17)23-27-24(34-29-23)18(2)30-12-14-31(15-13-30)25(33)22-16-21(19-10-11-19)28-32(22)26(3,4)5/h6-9,16,18-19H,10-15H2,1-5H3
InChIKeyOPMZCNWBWCZHEK-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.39
Rot. Bonds5

About (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone

(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (PubChem CID 55746987) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
PubChem CID55746987
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4cc(C5CC5)nn4C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C26H34N6O2/c1-17-6-8-20(9-7-17)23-27-24(34-29-23)18(2)30-12-14-31(15-13-30)25(33)22-16-21(19-10-11-19)28-32(22)26(3,4)5/h6-9,16,18-19H,10-15H2,1-5H3
InChIKeyOPMZCNWBWCZHEK-UHFFFAOYSA-N
XLogP4.39
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (CID 55746987) is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)c4cc(C5CC5)nn4C(C)(C)C)CC3)n2)cc1.
What is the InChIKey of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The InChIKey is OPMZCNWBWCZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-17-6-8-20(9-7-17)23-27-24(34-29-23)18(2)30-12-14-31(15-13-30)25(33)22-16-21(19-10-11-19)28-32(22)26(3,4)5/h6-9,16,18-19H,10-15H2,1-5H3.
What are the key properties of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone has a molecular weight of 462.60 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55746987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).