N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide

C18H15ClN4O4 — CID 51287740

IUPACN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O4/c19-14-6-4-13(5-7-14)11-22-17(8-9-20-22)21-18(24)12-27-16-3-1-2-15(10-16)23(25)26/h1-10H,11-12H2,(H,21,24)
InChIKeyOWKWLLDHLZYGGN-UHFFFAOYSA-N
MW386.80 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide (PubChem CID 51287740) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
PubChem CID51287740
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O4/c19-14-6-4-13(5-7-14)11-22-17(8-9-20-22)21-18(24)12-27-16-3-1-2-15(10-16)23(25)26/h1-10H,11-12H2,(H,21,24)
InChIKeyOWKWLLDHLZYGGN-UHFFFAOYSA-N
XLogP3.51
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 53.51
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-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
CID 36562769
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3-nitrophenoxy)acetamide
CID 3445964

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide (CID 51287740) is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is OWKWLLDHLZYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c19-14-6-4-13(5-7-14)11-22-17(8-9-20-22)21-18(24)12-27-16-3-1-2-15(10-16)23(25)26/h1-10H,11-12H2,(H,21,24).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide?
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 386.80 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 51287740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).