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

C14H12FN5O2 — CID 16952829

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)n(C)n1
InChIInChI=1S/C14H12FN5O2/c1-8-7-11(20(2)19-8)12(21)16-14-18-17-13(22-14)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18,21)
InChIKeyNPEMAYLQZDGFFF-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.17
Rot. Bonds3

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952829) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16952829
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)n(C)n1
InChIInChI=1S/C14H12FN5O2/c1-8-7-11(20(2)19-8)12(21)16-14-18-17-13(22-14)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18,21)
InChIKeyNPEMAYLQZDGFFF-UHFFFAOYSA-N
XLogP2.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 25818819
N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 25283158
N-[5-(1-methyl-5-methyl-3-pyrazolyl)-1,3,4-oxadiazol-2-yl]o-fluorobenzamide
CID 25283200
N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 25818756
N-[5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 25818793
N-(5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-2-fluorobenzamide
CID 25818835
N-(5-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 25818895
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25835719
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25843659
1-ethyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 25855634
1-ethyl-5-methyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 25855638

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 16952829) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)n(C)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NPEMAYLQZDGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-8-7-11(20(2)19-8)12(21)16-14-18-17-13(22-14)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 301.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).