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

C28H25N5O2 — CID 22978081

IUPAC2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C28H25N5O2/c1-3-33-27(16-19(2)32-33)28(34)29-21-10-7-11-22(17-21)35-23-13-14-24-25(30-31-26(24)18-23)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,29,34)(H,30,31)/b15-12+
InChIKeyFLJFVPZELCLKOC-NTCAYCPXSA-N
MW463.54 g/mol
LogP6.30
Rot. Bonds7

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

2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 22978081) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID22978081
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C28H25N5O2/c1-3-33-27(16-19(2)32-33)28(34)29-21-10-7-11-22(17-21)35-23-13-14-24-25(30-31-26(24)18-23)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,29,34)(H,30,31)/b15-12+
InChIKeyFLJFVPZELCLKOC-NTCAYCPXSA-N
XLogP6.30
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (CID 22978081) is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is FLJFVPZELCLKOC-NTCAYCPXSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-3-33-27(16-19(2)32-33)28(34)29-21-10-7-11-22(17-21)35-23-13-14-24-25(30-31-26(24)18-23)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,29,34)(H,30,31)/b15-12+.
What are the key properties of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22978081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).