N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide

C18H18N4O3 — CID 84590046

IUPACN-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)CC1
InChIInChI=1S/C18H18N4O3/c1-13-10-11-21(19-13)15-8-6-14(7-9-15)18(23)20(2)16-4-3-5-17(12-16)22(24)25/h3-9,12H,10-11H2,1-2H3
InChIKeySWIYYOWIXRYURM-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.46
Rot. Bonds4

About N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide

N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide (PubChem CID 84590046) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide
PubChem CID84590046
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)CC1
InChIInChI=1S/C18H18N4O3/c1-13-10-11-21(19-13)15-8-6-14(7-9-15)18(23)20(2)16-4-3-5-17(12-16)22(24)25/h3-9,12H,10-11H2,1-2H3
InChIKeySWIYYOWIXRYURM-UHFFFAOYSA-N
XLogP3.46
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.46
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'}

Analyze N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-methyl-3-nitro-N-pyrimidin-5-ylbenzamide
CID 69180461
N-methyl-N-(3-nitrophenyl)oxolane-2-carboxamide
CID 75388553
3-bromo-N-methyl-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 166434950
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
CID 140995398
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
CID 146170231
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide (CID 84590046) is N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide is CC1=NN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)CC1.
What is the InChIKey of N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide?
The InChIKey is SWIYYOWIXRYURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13-10-11-21(19-13)15-8-6-14(7-9-15)18(23)20(2)16-4-3-5-17(12-16)22(24)25/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide?
N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 84590046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).