1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine

C24H26N6O — CID 138584872

IUPAC1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(-n3ccc(NC4CCN(Cc5ccccc5)CC4)n3)c2)o1
InChIInChI=1S/C24H26N6O/c1-18-26-27-24(31-18)20-8-5-9-22(16-20)30-15-12-23(28-30)25-21-10-13-29(14-11-21)17-19-6-3-2-4-7-19/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3,(H,25,28)
InChIKeyMZJCYQRJMJPYFZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.31
Rot. Bonds6

About 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine

1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine (PubChem CID 138584872) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine
PubChem CID138584872
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(-n3ccc(NC4CCN(Cc5ccccc5)CC4)n3)c2)o1
InChIInChI=1S/C24H26N6O/c1-18-26-27-24(31-18)20-8-5-9-22(16-20)30-15-12-23(28-30)25-21-10-13-29(14-11-21)17-19-6-3-2-4-7-19/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3,(H,25,28)
InChIKeyMZJCYQRJMJPYFZ-UHFFFAOYSA-N
XLogP4.31
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine (CID 138584872) is 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine is Cc1nnc(-c2cccc(-n3ccc(NC4CCN(Cc5ccccc5)CC4)n3)c2)o1.
What is the InChIKey of 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine?
The InChIKey is MZJCYQRJMJPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18-26-27-24(31-18)20-8-5-9-22(16-20)30-15-12-23(28-30)25-21-10-13-29(14-11-21)17-19-6-3-2-4-7-19/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine?
1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 138584872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).