N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide

C16H23N3O — CID 166231848

IUPACN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CCC1)C1CCCc2c1cnn2C
InChIInChI=1S/C16H23N3O/c1-18(16(20)12-7-4-3-5-8-12)14-9-6-10-15-13(14)11-17-19(15)2/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyJUEUSIRHEFLPMZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds2

About N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide

N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 166231848) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
PubChem CID166231848
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CCC1)C1CCCc2c1cnn2C
InChIInChI=1S/C16H23N3O/c1-18(16(20)12-7-4-3-5-8-12)14-9-6-10-15-13(14)11-17-19(15)2/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyJUEUSIRHEFLPMZ-UHFFFAOYSA-N
XLogP2.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 97157689
N,5-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 97157688
1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
CID 99718097
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-[(1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethyl]-1-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 167879491
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
CID 97238870
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide
CID 64823360

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide (CID 166231848) is N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide is CN(C(=O)C1CC=CCC1)C1CCCc2c1cnn2C.
What is the InChIKey of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JUEUSIRHEFLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(16(20)12-7-4-3-5-8-12)14-9-6-10-15-13(14)11-17-19(15)2/h3-4,11-12,14H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide?
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 166231848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).