N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide

C15H16F2N4O5 — CID 19528295

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(C(C)C(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16F2N4O5/c1-8-4-5-12(26-15(16)17)10(6-8)18-13(22)9(2)20-7-11(21(23)24)14(19-20)25-3/h4-7,9,15H,1-3H3,(H,18,22)
InChIKeyDIZVYAZROLXRPV-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide (PubChem CID 19528295) has the molecular formula C15H16F2N4O5 and a molecular weight of 370.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
PubChem CID19528295
Molecular FormulaC15H16F2N4O5
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(C(C)C(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16F2N4O5/c1-8-4-5-12(26-15(16)17)10(6-8)18-13(22)9(2)20-7-11(21(23)24)14(19-20)25-3/h4-7,9,15H,1-3H3,(H,18,22)
InChIKeyDIZVYAZROLXRPV-UHFFFAOYSA-N
XLogP2.91
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-5-methylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 690237
N-(2-ethoxyphenyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 1504625
N-[(4-methoxyphenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841766
N-(3-methoxybenzyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 2983678
4-(4-{[(4-methyl-2-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507021
N-(2-methoxyphenyl)-2-methyl-4-[(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide
CID 1230027
N'-(4-hydroxybenzylidene)-2-{4-nitro-3-methoxy-1H-pyrazol-1-yl}propanohydrazide
CID 135490305
2-(4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 757086
N-(2-methoxy-5-nitrophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2550034
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylacetamide
CID 16356435
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16391697
1-[(4-Methoxyphenyl)methyl]-4-nitro-3-(1,1,1-trifluoropropan-2-yloxy)pyrazole
CID 166513392

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide (CID 19528295) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide is COc1nn(C(C)C(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The InChIKey is DIZVYAZROLXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O5/c1-8-4-5-12(26-15(16)17)10(6-8)18-13(22)9(2)20-7-11(21(23)24)14(19-20)25-3/h4-7,9,15H,1-3H3,(H,18,22).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide has a molecular weight of 370.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19528295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).