N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide

C21H25N3O3 — CID 6622691

IUPACN-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-14(2)24(15-8-4-3-5-9-15)19(25)13-23-20-16-10-6-7-11-18(16)27-21(26)17(20)12-22-23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3
InChIKeyWTVBGZHBSCOTNQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.71
Rot. Bonds4

About N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide

N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 6622691) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID6622691
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-14(2)24(15-8-4-3-5-9-15)19(25)13-23-20-16-10-6-7-11-18(16)27-21(26)17(20)12-22-23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3
InChIKeyWTVBGZHBSCOTNQ-UHFFFAOYSA-N
XLogP3.71
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
CID 2793709
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
1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromeno[4,3-c]pyrazol-4(1H)-one
CID 3243491
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide (CID 6622691) is N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide is CC(C)N(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is WTVBGZHBSCOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)24(15-8-4-3-5-9-15)19(25)13-23-20-16-10-6-7-11-18(16)27-21(26)17(20)12-22-23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 367.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 6622691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).