N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C16H19N3O2 — CID 20880030

IUPACN-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C16H19N3O2/c1-2-3-8-17-15(20)10-19-16-12(9-18-19)11-21-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,20)
InChIKeyFINFOXIPYVZSHB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.36
Rot. Bonds5

About N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20880030) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20880030
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C16H19N3O2/c1-2-3-8-17-15(20)10-19-16-12(9-18-19)11-21-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,20)
InChIKeyFINFOXIPYVZSHB-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 20880155
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 20880156
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-[[(3R,5R)-3,5-dimethyl-1-adamantyl]oxy]ethyl]acetamide
CID 98210873
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 20880159
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 20882192
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 20880071
2-(8-chloro-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 24992337
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 20880024
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 20880126
N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882029
ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 20880042

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20880030) is N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is CCCCNC(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is FINFOXIPYVZSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-8-17-15(20)10-19-16-12(9-18-19)11-21-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,20).
What are the key properties of N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20880030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).