N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C21H25N3O2 — CID 20882029

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC1=CCCCC1)CO2
InChIInChI=1S/C21H25N3O2/c1-15-7-8-19-18(11-15)21-17(14-26-19)12-23-24(21)13-20(25)22-10-9-16-5-3-2-4-6-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,22,25)
InChIKeySBXMRZCNUYPPSQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882029) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882029
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC1=CCCCC1)CO2
InChIInChI=1S/C21H25N3O2/c1-15-7-8-19-18(11-15)21-17(14-26-19)12-23-24(21)13-20(25)22-10-9-16-5-3-2-4-6-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,22,25)
InChIKeySBXMRZCNUYPPSQ-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882150
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2540069
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027001
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136260
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519612

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882029) is N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC1=CCCCC1)CO2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is SBXMRZCNUYPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-8-19-18(11-15)21-17(14-26-19)12-23-24(21)13-20(25)22-10-9-16-5-3-2-4-6-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).