5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C15H22N6O2 — CID 71927106

IUPAC5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1
InChIInChI=1S/C15H22N6O2/c1-9(2)15-20-19-13(23-15)8-21-5-3-4-10(7-21)11-6-12(14(16)22)18-17-11/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,22)(H,17,18)
InChIKeyHEJCZZAZURQCRK-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.39
Rot. Bonds5

About 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927106) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927106
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1
InChIInChI=1S/C15H22N6O2/c1-9(2)15-20-19-13(23-15)8-21-5-3-4-10(7-21)11-6-12(14(16)22)18-17-11/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,22)(H,17,18)
InChIKeyHEJCZZAZURQCRK-UHFFFAOYSA-N
XLogP1.39
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927106) is 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is CC(C)c1nnc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)o1.
What is the InChIKey of 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HEJCZZAZURQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9(2)15-20-19-13(23-15)8-21-5-3-4-10(7-21)11-6-12(14(16)22)18-17-11/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,22)(H,17,18).
What are the key properties of 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).