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

C25H20N6O — CID 55991299

IUPAC5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)nn1-c1ccccc1
InChIInChI=1S/C25H20N6O/c1-17-16-22(30-31(17)19-12-6-3-7-13-19)25(32)26-21-15-9-8-14-20(21)24-27-23(28-29-24)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,32)(H,27,28,29)
InChIKeyHXKGGKXIAXFVDG-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.89
Rot. Bonds5

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

5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 55991299) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
PubChem CID55991299
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)nn1-c1ccccc1
InChIInChI=1S/C25H20N6O/c1-17-16-22(30-31(17)19-12-6-3-7-13-19)25(32)26-21-15-9-8-14-20(21)24-27-23(28-29-24)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,32)(H,27,28,29)
InChIKeyHXKGGKXIAXFVDG-UHFFFAOYSA-N
XLogP4.89
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide (CID 55991299) is 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is HXKGGKXIAXFVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-17-16-22(30-31(17)19-12-6-3-7-13-19)25(32)26-21-15-9-8-14-20(21)24-27-23(28-29-24)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,32)(H,27,28,29).
What are the key properties of 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide?
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55991299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).