N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

C14H13F3N4O4 — CID 19533289

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F3N4O4/c1-7-11(21(23)24)6-20(19-7)8(2)13(22)18-10-4-3-9(15)5-12(10)25-14(16)17/h3-6,8,14H,1-2H3,(H,18,22)
InChIKeyMCSWVRMOXYYYLK-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19533289) has the molecular formula C14H13F3N4O4 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19533289
Molecular FormulaC14H13F3N4O4
Molecular Weight358.28 g/mol
Exact Mass358.09
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F3N4O4/c1-7-11(21(23)24)6-20(19-7)8(2)13(22)18-10-4-3-9(15)5-12(10)25-14(16)17/h3-6,8,14H,1-2H3,(H,18,22)
InChIKeyMCSWVRMOXYYYLK-UHFFFAOYSA-N
XLogP3.04
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19345601
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533024
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528260
N,1-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19533250
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
methyl 1-methyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342217
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474471
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4771380
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522251

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19533289) is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is MCSWVRMOXYYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O4/c1-7-11(21(23)24)6-20(19-7)8(2)13(22)18-10-4-3-9(15)5-12(10)25-14(16)17/h3-6,8,14H,1-2H3,(H,18,22).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 358.28 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19533289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).