(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

C16H22N6O2 — CID 129483160

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cnn(C)c3C3CC3)CCN2C)n1
InChIInChI=1S/C16H22N6O2/c1-10-18-15(24-19-10)13-9-22(7-6-20(13)2)16(23)12-8-17-21(3)14(12)11-4-5-11/h8,11,13H,4-7,9H2,1-3H3/t13-/m1/s1
InChIKeyJJIMBUBJOPQCLG-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.12
Rot. Bonds3

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 129483160) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID129483160
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cnn(C)c3C3CC3)CCN2C)n1
InChIInChI=1S/C16H22N6O2/c1-10-18-15(24-19-10)13-9-22(7-6-20(13)2)16(23)12-8-17-21(3)14(12)11-4-5-11/h8,11,13H,4-7,9H2,1-3H3/t13-/m1/s1
InChIKeyJJIMBUBJOPQCLG-CYBMUJFWSA-N
XLogP1.12
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (CID 129483160) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is Cc1noc([C@H]2CN(C(=O)c3cnn(C)c3C3CC3)CCN2C)n1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is JJIMBUBJOPQCLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10-18-15(24-19-10)13-9-22(7-6-20(13)2)16(23)12-8-17-21(3)14(12)11-4-5-11/h8,11,13H,4-7,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129483160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).