N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide

C20H20N4O3 — CID 55773278

IUPACN-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-14-12-21-23(13-14)18-9-7-16(8-10-18)20(25)22(3)15(2)17-5-4-6-19(11-17)24(26)27/h4-13,15H,1-3H3
InChIKeyDNVGTFGKBDREHN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.92
Rot. Bonds5

About N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide

N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 55773278) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID55773278
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-14-12-21-23(13-14)18-9-7-16(8-10-18)20(25)22(3)15(2)17-5-4-6-19(11-17)24(26)27/h4-13,15H,1-3H3
InChIKeyDNVGTFGKBDREHN-UHFFFAOYSA-N
XLogP3.92
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-N-[1-(3-nitrophenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 46546081
methyl 3-[3,5-dimethyl-1-[4-[methyl-[1-(3-nitrophenyl)ethyl]carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 46566229
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46565388
2-benzyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46601351
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740102
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789656
5-chloro-1-[(4-fluorophenyl)methyl]-N,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrazole-4-carboxamide
CID 55491881
(E)-3-(1-benzylpyrazol-4-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]prop-2-enamide
CID 9076758
N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 24674773

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 55773278) is N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide is Cc1cnn(-c2ccc(C(=O)N(C)C(C)c3cccc([N+](=O)[O-])c3)cc2)c1.
What is the InChIKey of N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is DNVGTFGKBDREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-12-21-23(13-14)18-9-7-16(8-10-18)20(25)22(3)15(2)17-5-4-6-19(11-17)24(26)27/h4-13,15H,1-3H3.
What are the key properties of N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide?
N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpyrazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 55773278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).