N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide

C22H18N4O4 — CID 55779760

IUPACN-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C22H18N4O4/c27-22(15-30-20-11-4-3-10-19(20)26(28)29)24-21-12-13-23-25(21)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,24,27)
InChIKeySDHJMIZYTNGCSO-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.01
Rot. Bonds7

About N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide

N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide (PubChem CID 55779760) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
PubChem CID55779760
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C22H18N4O4/c27-22(15-30-20-11-4-3-10-19(20)26(28)29)24-21-12-13-23-25(21)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,24,27)
InChIKeySDHJMIZYTNGCSO-UHFFFAOYSA-N
XLogP4.01
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.01
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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methyl-3-nitrophenoxy)acetamide
CID 60518206
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 36643198
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide
CID 8797293
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide (CID 55779760) is N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is SDHJMIZYTNGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-22(15-30-20-11-4-3-10-19(20)26(28)29)24-21-12-13-23-25(21)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,24,27).
What are the key properties of N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide?
N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 402.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 55779760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).