2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide

C21H20N4O4 — CID 55508067

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C21H20N4O4/c1-14-11-20(24(23-14)17-6-8-18(9-7-17)25(27)28)22-21(26)13-29-19-10-5-15-3-2-4-16(15)12-19/h5-12H,2-4,13H2,1H3,(H,22,26)
InChIKeyKXHZVWCVJOTGQV-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.60
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide (PubChem CID 55508067) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
PubChem CID55508067
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C21H20N4O4/c1-14-11-20(24(23-14)17-6-8-18(9-7-17)25(27)28)22-21(26)13-29-19-10-5-15-3-2-4-16(15)12-19/h5-12H,2-4,13H2,1H3,(H,22,26)
InChIKeyKXHZVWCVJOTGQV-UHFFFAOYSA-N
XLogP3.60
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.60
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-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55502673
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998058
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 78767051
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55520406
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(2-methylphenyl)acetamide
CID 55519581
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55520312
3-(2,4-dimethylphenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55579810
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 112807886
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880510
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95149464
N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 2173161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide (CID 55508067) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The InChIKey is KXHZVWCVJOTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-11-20(24(23-14)17-6-8-18(9-7-17)25(27)28)22-21(26)13-29-19-10-5-15-3-2-4-16(15)12-19/h5-12H,2-4,13H2,1H3,(H,22,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 55508067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).