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

C17H14N6O2 — CID 86784196

IUPACN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cn[nH]c3-c3ccccc3)n[nH]2)o1
InChIInChI=1S/C17H14N6O2/c1-10-7-8-13(25-10)15-19-17(23-22-15)20-16(24)12-9-18-21-14(12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)(H2,19,20,22,23,24)
InChIKeyRTJTXVMDZKBWGY-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.02
Rot. Bonds4

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

N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 86784196) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID86784196
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cn[nH]c3-c3ccccc3)n[nH]2)o1
InChIInChI=1S/C17H14N6O2/c1-10-7-8-13(25-10)15-19-17(23-22-15)20-16(24)12-9-18-21-14(12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)(H2,19,20,22,23,24)
InChIKeyRTJTXVMDZKBWGY-UHFFFAOYSA-N
XLogP3.02
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 86784196) is N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cn[nH]c3-c3ccccc3)n[nH]2)o1.
What is the InChIKey of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is RTJTXVMDZKBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-7-8-13(25-10)15-19-17(23-22-15)20-16(24)12-9-18-21-14(12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)(H2,19,20,22,23,24).
What are the key properties of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86784196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).