N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide

C17H23N3O — CID 126775330

IUPACN-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide
SMILESCN(C(=O)c1cccc2cn[nH]c12)C1CCC(C)(C)CC1
InChIInChI=1S/C17H23N3O/c1-17(2)9-7-13(8-10-17)20(3)16(21)14-6-4-5-12-11-18-19-15(12)14/h4-6,11,13H,7-10H2,1-3H3,(H,18,19)
InChIKeyAOMVJUPEJZZIEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide

N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide (PubChem CID 126775330) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide
PubChem CID126775330
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide
SMILESCN(C(=O)c1cccc2cn[nH]c12)C1CCC(C)(C)CC1
InChIInChI=1S/C17H23N3O/c1-17(2)9-7-13(8-10-17)20(3)16(21)14-6-4-5-12-11-18-19-15(12)14/h4-6,11,13H,7-10H2,1-3H3,(H,18,19)
InChIKeyAOMVJUPEJZZIEN-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
CID 119203134
N-methyl-N-[(1-phenylcyclopropyl)methyl]-1H-indazole-7-carboxamide
CID 126788902
4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 166202110
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162334687
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
N'-methyl-N'-phenyl-1H-indazole-7-carbohydrazide
CID 69242941
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
CID 55822528
N-(6-methylspiro[3.3]heptan-2-yl)-1H-indazole-7-carboxamide
CID 170258466
N-[2-[(dimethylamino)methyl]phenyl]-1H-indazole-7-carboxamide
CID 38436270
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
N-(4,4-dimethylcyclohexyl)-N-methyl-3-sulfanylbenzamide
CID 107032511

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide (CID 126775330) is N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide is CN(C(=O)c1cccc2cn[nH]c12)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide?
The InChIKey is AOMVJUPEJZZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)9-7-13(8-10-17)20(3)16(21)14-6-4-5-12-11-18-19-15(12)14/h4-6,11,13H,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide?
N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 126775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).