5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide

C26H21N5O2 — CID 134133286

IUPAC5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)n[nH]1
InChIInChI=1S/C26H21N5O2/c1-17-14-25(31-28-17)26(32)27-19-8-5-9-20(15-19)33-21-11-12-22-23(29-30-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,32)(H,28,31)(H,29,30)/b13-10+
InChIKeyULLKZYOFIVZLKW-JLHYYAGUSA-N
MW435.49 g/mol
LogP5.81
Rot. Bonds6

About 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 134133286) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID134133286
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)n[nH]1
InChIInChI=1S/C26H21N5O2/c1-17-14-25(31-28-17)26(32)27-19-8-5-9-20(15-19)33-21-11-12-22-23(29-30-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,32)(H,28,31)(H,29,30)/b13-10+
InChIKeyULLKZYOFIVZLKW-JLHYYAGUSA-N
XLogP5.81
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide (CID 134133286) is 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)n[nH]1.
What is the InChIKey of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ULLKZYOFIVZLKW-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-17-14-25(31-28-17)26(32)27-19-8-5-9-20(15-19)33-21-11-12-22-23(29-30-24(22)16-21)13-10-18-6-3-2-4-7-18/h2-16H,1H3,(H,27,32)(H,28,31)(H,29,30)/b13-10+.
What are the key properties of 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 134133286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).