5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C19H15FN6O2 — CID 24889992

IUPAC5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN6O2/c20-14-3-1-12(2-4-14)9-15-10-16(13-5-7-22-8-6-13)24-26(15)11-17-23-19(18(21)27)25-28-17/h1-8,10H,9,11H2,(H2,21,27)
InChIKeyRYEDROBBQSWZEI-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.21
Rot. Bonds6

About 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 24889992) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID24889992
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN6O2/c20-14-3-1-12(2-4-14)9-15-10-16(13-5-7-22-8-6-13)24-26(15)11-17-23-19(18(21)27)25-28-17/h1-8,10H,9,11H2,(H2,21,27)
InChIKeyRYEDROBBQSWZEI-UHFFFAOYSA-N
XLogP2.21
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 24889992) is 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)n1.
What is the InChIKey of 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RYEDROBBQSWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-14-3-1-12(2-4-14)9-15-10-16(13-5-7-22-8-6-13)24-26(15)11-17-23-19(18(21)27)25-28-17/h1-8,10H,9,11H2,(H2,21,27).
What are the key properties of 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 24889992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).