4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

C14H14F2N4O4 — CID 19283108

IUPAC4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-2-4-11(5-3-10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21)
InChIKeyPWBLJMZETIHZTD-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.13
Rot. Bonds7

About 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (PubChem CID 19283108) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
PubChem CID19283108
Molecular FormulaC14H14F2N4O4
Molecular Weight340.29 g/mol
Exact Mass340.10
IUPAC Name4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-2-4-11(5-3-10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21)
InChIKeyPWBLJMZETIHZTD-UHFFFAOYSA-N
XLogP2.13
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.13
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

N-(4-Methoxy-benzyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 3106231
N'-(2-{3-nitro-5-methyl-1H-pyrazol-1-yl}-1-methylethylidene)-4-methoxybenzohydrazide
CID 9616045
N-(4-methoxybenzyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 16193082
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 4795350
N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7831121
4-butoxy-N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]benzamide
CID 25163781
5-(2-Fluoro-4-methoxyphenyl)-1-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 46105038
2-(4-Bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methoxy-benzyl)-acetamide
CID 1101531
4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 47082147
4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 49176274
4-isopropoxy-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808023
N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 71808341

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (CID 19283108) is 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The InChIKey is PWBLJMZETIHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-2-4-11(5-3-10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21).
What are the key properties of 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide has a molecular weight of 340.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19283108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).