N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

C15H13F2N5O2 — CID 43972269

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C15H13F2N5O2/c1-8(2)22-6-5-12(21-22)13(23)18-15-20-19-14(24-15)10-4-3-9(16)7-11(10)17/h3-8H,1-2H3,(H,18,20,23)
InChIKeyQBSXTXLLXXBZEV-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 43972269) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID43972269
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C15H13F2N5O2/c1-8(2)22-6-5-12(21-22)13(23)18-15-20-19-14(24-15)10-4-3-9(16)7-11(10)17/h3-8H,1-2H3,(H,18,20,23)
InChIKeyQBSXTXLLXXBZEV-UHFFFAOYSA-N
XLogP3.04
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 43972265
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43972032
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 43972132
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43973356
2-(4-chlorophenoxy)-N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972110
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43972096
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 43972157

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 43972269) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)n1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is QBSXTXLLXXBZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-8(2)22-6-5-12(21-22)13(23)18-15-20-19-14(24-15)10-4-3-9(16)7-11(10)17/h3-8H,1-2H3,(H,18,20,23).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43972269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).