N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide

C14H16N4O3 — CID 19555752

IUPACN-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ccc(C)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-10-3-4-12(13(9-10)18(20)21)15-14(19)6-8-17-7-5-11(2)16-17/h3-5,7,9H,6,8H2,1-2H3,(H,15,19)
InChIKeyRWEGVOOYBYQQHP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.44
Rot. Bonds5

About N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555752) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555752
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ccc(C)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-10-3-4-12(13(9-10)18(20)21)15-14(19)6-8-17-7-5-11(2)16-17/h3-5,7,9H,6,8H2,1-2H3,(H,15,19)
InChIKeyRWEGVOOYBYQQHP-UHFFFAOYSA-N
XLogP2.44
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565838
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
1-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502099
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
3-(4-bromo-3-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19561988
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 19555752) is N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccc(NC(=O)CCn2ccc(C)n2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is RWEGVOOYBYQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-3-4-12(13(9-10)18(20)21)15-14(19)6-8-17-7-5-11(2)16-17/h3-5,7,9H,6,8H2,1-2H3,(H,15,19).
What are the key properties of N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).