N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide

C14H16N4O3 — CID 19537233

IUPACN-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)n1nccc1C
InChIInChI=1S/C14H16N4O3/c1-9-8-12(18(20)21)4-5-13(9)16-14(19)11(3)17-10(2)6-7-15-17/h4-8,11H,1-3H3,(H,16,19)
InChIKeyFUQZBSHNWQOIAZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.61
Rot. Bonds4

About N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide

N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19537233) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID19537233
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)n1nccc1C
InChIInChI=1S/C14H16N4O3/c1-9-8-12(18(20)21)4-5-13(9)16-14(19)11(3)17-10(2)6-7-15-17/h4-8,11H,1-3H3,(H,16,19)
InChIKeyFUQZBSHNWQOIAZ-UHFFFAOYSA-N
XLogP2.61
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.61
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-(2,5-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537266
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 19532473
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 53276809
N-(2-cyano-4-nitrophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079737
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 19532771
(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 7390087
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19538376

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide (CID 19537233) is N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)n1nccc1C.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is FUQZBSHNWQOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-8-12(18(20)21)4-5-13(9)16-14(19)11(3)17-10(2)6-7-15-17/h4-8,11H,1-3H3,(H,16,19).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide?
N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).