N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C20H23N3O3 — CID 5308263

IUPACN-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1
InChIInChI=1S/C20H23N3O3/c1-12-7-8-17-14(9-12)19-15(20(25)26-17)10-21-23(19)11-18(24)22-16-6-4-3-5-13(16)2/h7-10,13,16H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyLECOLVQKJHGWSS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.15
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5308263) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5308263
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1
InChIInChI=1S/C20H23N3O3/c1-12-7-8-17-14(9-12)19-15(20(25)26-17)10-21-23(19)11-18(24)22-16-6-4-3-5-13(16)2/h7-10,13,16H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyLECOLVQKJHGWSS-UHFFFAOYSA-N
XLogP3.15
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 5309260
ST51001558
CID 342056
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
Methyl 2-{1-methyl-1H,4H-chromeno[4,3-C]pyrazole-3-amido}benzoate
CID 16017038
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855484
N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 89031601
N-(3,4-dichlorophenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 89031602
US10138229, Example 29
CID 89968957
N-(2-acetamidoethyl)-N-benzyl-8-cyclopropyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657467
N-(2-acetamidoethyl)-N-benzyl-8-ethenyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657470

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5308263) is N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is LECOLVQKJHGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-7-8-17-14(9-12)19-15(20(25)26-17)10-21-23(19)11-18(24)22-16-6-4-3-5-13(16)2/h7-10,13,16H,3-6,11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5308263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).