5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide

C16H22N4O — CID 60905479

IUPAC5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
SMILESCC1CCCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1C
InChIInChI=1S/C16H22N4O/c1-9-4-3-5-13(10(9)2)18-16(21)15-12-8-11(17)6-7-14(12)19-20-15/h6-10,13H,3-5,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTUQQAJYICDXWBU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds2

About 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide

5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide (PubChem CID 60905479) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
PubChem CID60905479
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
SMILESCC1CCCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1C
InChIInChI=1S/C16H22N4O/c1-9-4-3-5-13(10(9)2)18-16(21)15-12-8-11(17)6-7-14(12)19-20-15/h6-10,13H,3-5,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTUQQAJYICDXWBU-UHFFFAOYSA-N
XLogP2.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63117889
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-indazole-3-carboxamide
CID 79351862
5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide
CID 106249516
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide (CID 60905479) is 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide is CC1CCCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide?
The InChIKey is TUQQAJYICDXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9-4-3-5-13(10(9)2)18-16(21)15-12-8-11(17)6-7-14(12)19-20-15/h6-10,13H,3-5,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide?
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60905479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).