N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

C19H13BrFN5O2 — CID 100737849

IUPACN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H13BrFN5O2/c20-13-4-1-3-12(9-13)18-23-17(28-25-18)11-22-19(27)16-7-8-26(24-16)15-6-2-5-14(21)10-15/h1-10H,11H2,(H,22,27)
InChIKeyDZUAXAIVERZNOT-UHFFFAOYSA-N
MW442.25 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 100737849) has the molecular formula C19H13BrFN5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID100737849
Molecular FormulaC19H13BrFN5O2
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC NameN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H13BrFN5O2/c20-13-4-1-3-12(9-13)18-23-17(28-25-18)11-22-19(27)16-7-8-26(24-16)15-6-2-5-14(21)10-15/h1-10H,11H2,(H,22,27)
InChIKeyDZUAXAIVERZNOT-UHFFFAOYSA-N
XLogP3.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 100737849) is N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is DZUAXAIVERZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O2/c20-13-4-1-3-12(9-13)18-23-17(28-25-18)11-22-19(27)16-7-8-26(24-16)15-6-2-5-14(21)10-15/h1-10H,11H2,(H,22,27).
What are the key properties of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 442.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 100737849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).