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

C14H12FN5O2 — CID 86783591

IUPAC5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1ncon1
InChIInChI=1S/C14H12FN5O2/c1-8(13-16-7-22-20-13)18-14(21)10-6-17-19-12(10)9-4-2-3-5-11(9)15/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyQCYCJMYJEBWXLM-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.09
Rot. Bonds4

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

5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 86783591) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID86783591
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1ncon1
InChIInChI=1S/C14H12FN5O2/c1-8(13-16-7-22-20-13)18-14(21)10-6-17-19-12(10)9-4-2-3-5-11(9)15/h2-8H,1H3,(H,17,19)(H,18,21)
InChIKeyQCYCJMYJEBWXLM-UHFFFAOYSA-N
XLogP2.09
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 86783591) is 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1ncon1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QCYCJMYJEBWXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-8(13-16-7-22-20-13)18-14(21)10-6-17-19-12(10)9-4-2-3-5-11(9)15/h2-8H,1H3,(H,17,19)(H,18,21).
What are the key properties of 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 301.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86783591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).