N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

C22H25N3O — CID 69065189

IUPACN-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1
InChIInChI=1S/C22H25N3O/c1-14-8-9-15(2)19(12-14)17-10-11-18-20(13-17)24-25-21(18)23-22(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H2,23,24,25,26)
InChIKeyOBPJFDYNMOKBCY-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.37
Rot. Bonds3

About N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (PubChem CID 69065189) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
PubChem CID69065189
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1
InChIInChI=1S/C22H25N3O/c1-14-8-9-15(2)19(12-14)17-10-11-18-20(13-17)24-25-21(18)23-22(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H2,23,24,25,26)
InChIKeyOBPJFDYNMOKBCY-UHFFFAOYSA-N
XLogP5.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (CID 69065189) is N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is Cc1ccc(C)c(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The InChIKey is OBPJFDYNMOKBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-8-9-15(2)19(12-14)17-10-11-18-20(13-17)24-25-21(18)23-22(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide has a molecular weight of 347.46 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 69065189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).