[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

C18H26N6O2 — CID 129485997

IUPAC[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t14-/m1/s1
InChIKeyPLLDLIAMAGDULS-CQSZACIVSA-N
MW358.45 g/mol
LogP1.93
Rot. Bonds4

About [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 129485997) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
PubChem CID129485997
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t14-/m1/s1
InChIKeyPLLDLIAMAGDULS-CQSZACIVSA-N
XLogP1.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(5-cyclopropyl-1-methylpyrazol-4-yl)-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53566946
(5-Cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612092
(5-Cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53620656
(5-Cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779764
(1,3-Dimethylpyrazol-4-yl)-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72136060
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72903199
3-Tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 99799190
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 99840136
(4-{2-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)methanone
CID 132340518
3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 164632342
[3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 128989156
(3-Ethyl-1-methylpyrazol-4-yl)-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]methanone
CID 128998667

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (CID 129485997) is [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is CC(C)c1nn(C)cc1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is PLLDLIAMAGDULS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 129485997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).