N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide

C24H20N4O4 — CID 55508215

IUPACN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C24H20N4O4/c1-17-15-23(27(26-17)20-11-13-21(14-12-20)28(30)31)25-24(29)19-9-7-18(8-10-19)16-32-22-5-3-2-4-6-22/h2-15H,16H2,1H3,(H,25,29)
InChIKeyLZXWKIRLAJNUMA-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.92
Rot. Bonds7

About N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide

N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide (PubChem CID 55508215) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
PubChem CID55508215
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C24H20N4O4/c1-17-15-23(27(26-17)20-11-13-21(14-12-20)28(30)31)25-24(29)19-9-7-18(8-10-19)16-32-22-5-3-2-4-6-22/h2-15H,16H2,1H3,(H,25,29)
InChIKeyLZXWKIRLAJNUMA-UHFFFAOYSA-N
XLogP4.92
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.92
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-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55520417
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55503341
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78837818
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55508140
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507983
2-ethoxy-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520199
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567376
6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 55668204
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 112807886

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide (CID 55508215) is N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide is Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide?
The InChIKey is LZXWKIRLAJNUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-17-15-23(27(26-17)20-11-13-21(14-12-20)28(30)31)25-24(29)19-9-7-18(8-10-19)16-32-22-5-3-2-4-6-22/h2-15H,16H2,1H3,(H,25,29).
What are the key properties of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide?
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide has a molecular weight of 428.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 55508215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).