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

C15H19N5O2 — CID 56816444

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-9-16-14(22-19-9)11-4-6-20(7-5-11)15(21)13-8-12(17-18-13)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,17,18)
InChIKeyBEFJQMZVHUXZPB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.00
Rot. Bonds3

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

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56816444) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID56816444
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-9-16-14(22-19-9)11-4-6-20(7-5-11)15(21)13-8-12(17-18-13)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,17,18)
InChIKeyBEFJQMZVHUXZPB-UHFFFAOYSA-N
XLogP2.00
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 56816444) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BEFJQMZVHUXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-16-14(22-19-9)11-4-6-20(7-5-11)15(21)13-8-12(17-18-13)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,17,18).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56816444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).