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

C17H21N3O — CID 122563829

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC=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)
InChIKeyPIWIIDRHDFYVNN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.85
Rot. Bonds3

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

N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 122563829) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID122563829
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC=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)
InChIKeyPIWIIDRHDFYVNN-UHFFFAOYSA-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

1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200527
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125176476
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate
CID 50951872
N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157017185
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 90490571
N-[(1,5-dimethylindazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91782573

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 122563829) is N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is Cc1ccc2c(c1)c(CNC(=O)C1CC=CCC1)nn2C.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PIWIIDRHDFYVNN-UHFFFAOYSA-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).
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
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 N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122563829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).