N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide

C13H13FN4O3 — CID 75517792

IUPACN-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)cc1F
InChIInChI=1S/C13H13FN4O3/c1-8-3-4-10(5-12(8)14)16-13(19)9(2)17-7-11(6-15-17)18(20)21/h3-7,9H,1-2H3,(H,16,19)
InChIKeyMIPXIBQXDOAQDF-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.44
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide

N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 75517792) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID75517792
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)cc1F
InChIInChI=1S/C13H13FN4O3/c1-8-3-4-10(5-12(8)14)16-13(19)9(2)17-7-11(6-15-17)18(20)21/h3-7,9H,1-2H3,(H,16,19)
InChIKeyMIPXIBQXDOAQDF-UHFFFAOYSA-N
XLogP2.44
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
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

2-(4-nitropyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4915850
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528845
(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide
CID 19528832
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7366681

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide (CID 75517792) is N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide is Cc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is MIPXIBQXDOAQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-8-3-4-10(5-12(8)14)16-13(19)9(2)17-7-11(6-15-17)18(20)21/h3-7,9H,1-2H3,(H,16,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide?
N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 292.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 75517792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).