N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C12H10F2N4O3 — CID 1259154

IUPACN-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N4O3/c1-7-4-11(18(20)21)16-17(7)6-12(19)15-10-5-8(13)2-3-9(10)14/h2-5H,6H2,1H3,(H,15,19)
InChIKeyWSWHIBIEARAKSE-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.02
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1259154) has the molecular formula C12H10F2N4O3 and a molecular weight of 296.23 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1259154
Molecular FormulaC12H10F2N4O3
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC NameN-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N4O3/c1-7-4-11(18(20)21)16-17(7)6-12(19)15-10-5-8(13)2-3-9(10)14/h2-5H,6H2,1H3,(H,15,19)
InChIKeyWSWHIBIEARAKSE-UHFFFAOYSA-N
XLogP2.02
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.02
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-benzyl-N-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 671670
N-benzyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259173
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(1-phenyl-ethyl)-acetamide
CID 2861112
1-(4-Benzylpiperazin-1-yl)-2-(5-methyl-3-nitropyrazol-1-yl)ethanone
CID 671632
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 749090
N-(4-fluorophenyl)-2-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)hydrazinecarbothioamide
CID 999091
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 1019736
N-(4-fluorophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1250431
N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1256430
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 1259574
N-[4-(acetylamino)phenyl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1509845
2-(3,5-Dimethyl-pyrazol-1-yl)-N-phenyl-acetamide
CID 2053745

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1259154) is N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is WSWHIBIEARAKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O3/c1-7-4-11(18(20)21)16-17(7)6-12(19)15-10-5-8(13)2-3-9(10)14/h2-5H,6H2,1H3,(H,15,19).
What are the key properties of N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 296.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1259154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).