2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

C29H25N5O2 — CID 134140946

IUPAC2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H25N5O2/c1-3-34-27(16-19(2)33-34)29(36)30-23-11-7-10-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,30,36)(H,31,32)/b15-12+
InChIKeyABFWFMKMECKKFR-NTCAYCPXSA-N
MW475.55 g/mol
LogP5.74
Rot. Bonds7

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

2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 134140946) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
PubChem CID134140946
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H25N5O2/c1-3-34-27(16-19(2)33-34)29(36)30-23-11-7-10-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,30,36)(H,31,32)/b15-12+
InChIKeyABFWFMKMECKKFR-NTCAYCPXSA-N
XLogP5.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 134140946) is 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ABFWFMKMECKKFR-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-3-34-27(16-19(2)33-34)29(36)30-23-11-7-10-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H,30,36)(H,31,32)/b15-12+.
What are the key properties of 2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 5.74, 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-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 134140946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).