N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C20H23FN6O2 — CID 92597215

IUPACN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C20H23FN6O2/c1-13-19(25-29-24-13)20(28)22-16-7-9-27(10-8-16)12-17-11-18(23-26(17)2)14-3-5-15(21)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,22,28)
InChIKeyVIYAVZLPPRJHQH-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.31
Rot. Bonds5

About N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 92597215) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID92597215
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C20H23FN6O2/c1-13-19(25-29-24-13)20(28)22-16-7-9-27(10-8-16)12-17-11-18(23-26(17)2)14-3-5-15(21)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,22,28)
InChIKeyVIYAVZLPPRJHQH-UHFFFAOYSA-N
XLogP2.31
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 92597215) is N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1.
What is the InChIKey of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is VIYAVZLPPRJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-19(25-29-24-13)20(28)22-16-7-9-27(10-8-16)12-17-11-18(23-26(17)2)14-3-5-15(21)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,22,28).
What are the key properties of N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 92597215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).