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

C16H11FN6O2 — CID 71856264

IUPAC5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccoc2)n1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C16H11FN6O2/c17-12-4-2-1-3-10(12)13-11(7-18-21-13)15(24)20-16-19-14(22-23-16)9-5-6-25-8-9/h1-8H,(H,18,21)(H2,19,20,22,23,24)
InChIKeyFFVHXEBXUDBDEU-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.85
Rot. Bonds4

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

5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 71856264) has the molecular formula C16H11FN6O2 and a molecular weight of 338.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID71856264
Molecular FormulaC16H11FN6O2
Molecular Weight338.30 g/mol
Exact Mass338.09
IUPAC Name5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccoc2)n1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C16H11FN6O2/c17-12-4-2-1-3-10(12)13-11(7-18-21-13)15(24)20-16-19-14(22-23-16)9-5-6-25-8-9/h1-8H,(H,18,21)(H2,19,20,22,23,24)
InChIKeyFFVHXEBXUDBDEU-UHFFFAOYSA-N
XLogP2.85
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide (CID 71856264) is 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide is O=C(Nc1n[nH]c(-c2ccoc2)n1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is FFVHXEBXUDBDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O2/c17-12-4-2-1-3-10(12)13-11(7-18-21-13)15(24)20-16-19-14(22-23-16)9-5-6-25-8-9/h1-8H,(H,18,21)(H2,19,20,22,23,24).
What are the key properties of 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 338.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71856264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).