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

C19H16N4O4 — CID 46260245

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O4/c1-12-15(6-4-7-16(12)23(25)26)21-18(24)10-22-19-13(9-20-22)11-27-17-8-3-2-5-14(17)19/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNGCYMBNVSITVPH-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.30
Rot. Bonds4

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 46260245) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID46260245
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O4/c1-12-15(6-4-7-16(12)23(25)26)21-18(24)10-22-19-13(9-20-22)11-27-17-8-3-2-5-14(17)19/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNGCYMBNVSITVPH-UHFFFAOYSA-N
XLogP3.30
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2585037
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 20880111
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2210518
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 20880091
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9451916
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395132
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-[[(3R,5R)-3,5-dimethyl-1-adamantyl]oxy]ethyl]acetamide
CID 98210873
N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468233

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (CID 46260245) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is NGCYMBNVSITVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-12-15(6-4-7-16(12)23(25)26)21-18(24)10-22-19-13(9-20-22)11-27-17-8-3-2-5-14(17)19/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 364.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 46260245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).