N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C23H23N3O4 — CID 5308508

IUPACN-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1
InChIInChI=1S/C23H23N3O4/c27-21(25(14-17-9-6-12-29-17)16-7-2-1-3-8-16)15-26-22-18-10-4-5-11-20(18)30-23(28)19(22)13-24-26/h4-6,9-13,16H,1-3,7-8,14-15H2
InChIKeyOAGBWYDJOZIIQX-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.10
Rot. Bonds5

About N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5308508) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5308508
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1
InChIInChI=1S/C23H23N3O4/c27-21(25(14-17-9-6-12-29-17)16-7-2-1-3-8-16)15-26-22-18-10-4-5-11-20(18)30-23(28)19(22)13-24-26/h4-6,9-13,16H,1-3,7-8,14-15H2
InChIKeyOAGBWYDJOZIIQX-UHFFFAOYSA-N
XLogP4.10
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127034069
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
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 127034068
3-[4-(Morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 1288593
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2367657
1-{2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}chromeno[4,3-c]pyrazol-4(1H)-one
CID 3240181
N-(4-fluorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 3473530
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 5307174
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5308508) is N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is OAGBWYDJOZIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-21(25(14-17-9-6-12-29-17)16-7-2-1-3-8-16)15-26-22-18-10-4-5-11-20(18)30-23(28)19(22)13-24-26/h4-6,9-13,16H,1-3,7-8,14-15H2.
What are the key properties of N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5308508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).