N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide

C11H8F2N4O4 — CID 135803152

IUPACN-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H8F2N4O4/c12-11(13)21-8-4-2-1-3-6(8)14-10(18)7-5-9(16-15-7)17(19)20/h1-5,11H,(H,14,18)(H,15,16)
InChIKeyFHOMVZTWYOUGTO-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide

N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135803152) has the molecular formula C11H8F2N4O4 and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135803152
Molecular FormulaC11H8F2N4O4
Molecular Weight298.21 g/mol
Exact Mass298.05
IUPAC NameN-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H8F2N4O4/c12-11(13)21-8-4-2-1-3-6(8)14-10(18)7-5-9(16-15-7)17(19)20/h1-5,11H,(H,14,18)(H,15,16)
InChIKeyFHOMVZTWYOUGTO-UHFFFAOYSA-N
XLogP2.17
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-[2-(4-fluoroanilino)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 166195216
5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583
5-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-3-carboxamide
CID 135803034
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-[2-(difluoromethoxy)phenyl]-4-methylsulfanyl-3-nitrobenzamide
CID 2671084
N-[2-(difluoromethoxy)phenyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265825
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-[2-(difluoromethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17414087
N-[2-(difluoromethoxy)phenyl]-6-(methylamino)pyridine-2-carboxamide
CID 62238431
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513943
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide (CID 135803152) is N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is FHOMVZTWYOUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O4/c12-11(13)21-8-4-2-1-3-6(8)14-10(18)7-5-9(16-15-7)17(19)20/h1-5,11H,(H,14,18)(H,15,16).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide?
N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 298.21 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135803152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).