N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

C21H23N3O — CID 69065843

IUPACN-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1
InChIInChI=1S/C21H23N3O/c1-14-6-5-9-16(12-14)17-10-11-18-19(13-17)23-24-20(18)22-21(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,22,23,24,25)
InChIKeyKDQFSSYARILFJJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.06
Rot. Bonds3

About N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide

N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (PubChem CID 69065843) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
PubChem CID69065843
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1
InChIInChI=1S/C21H23N3O/c1-14-6-5-9-16(12-14)17-10-11-18-19(13-17)23-24-20(18)22-21(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,22,23,24,25)
InChIKeyKDQFSSYARILFJJ-UHFFFAOYSA-N
XLogP5.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide (CID 69065843) is N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is Cc1cccc(-c2ccc3c(NC(=O)C4CCCCC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
The InChIKey is KDQFSSYARILFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-6-5-9-16(12-14)17-10-11-18-19(13-17)23-24-20(18)22-21(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide?
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide has a molecular weight of 333.44 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 69065843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).