(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C17H21N3O — CID 125441376

IUPAC(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC=CCC1)nn2C
InChIInChI=1S/C17H21N3O/c1-12-8-9-16-14(10-12)15(19-20(16)2)11-18-17(21)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyPIWIIDRHDFYVNN-CYBMUJFWSA-N
MW283.38 g/mol
LogP2.85
Rot. Bonds3

About (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 125441376) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID125441376
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC=CCC1)nn2C
InChIInChI=1S/C17H21N3O/c1-12-8-9-16-14(10-12)15(19-20(16)2)11-18-17(21)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyPIWIIDRHDFYVNN-CYBMUJFWSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
App-butinaca
CID 154735174
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304
rac-(1R,5S,6R)-N-(2-(1-methyl-1H-indazol-3-yl)propan-2-yl)-3-azabicyclo(3.1.0)hexane-6-carboxamide
CID 86294248

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 125441376) is (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC=CCC1)nn2C.
What is the InChIKey of (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PIWIIDRHDFYVNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-9-16-14(10-12)15(19-20(16)2)11-18-17(21)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7,11H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 125441376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).