N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C17H14FN5O4 — CID 68739416

IUPACN-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])nc3)ccc2F)n(C)n1
InChIInChI=1S/C17H14FN5O4/c1-10-7-15(22(2)21-10)17(24)20-14-8-11(3-5-13(14)18)27-12-4-6-16(19-9-12)23(25)26/h3-9H,1-2H3,(H,20,24)
InChIKeyXFXPVFHLQYDSRZ-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.22
Rot. Bonds5

About N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 68739416) has the molecular formula C17H14FN5O4 and a molecular weight of 371.33 g/mol. Its IUPAC name is N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID68739416
Molecular FormulaC17H14FN5O4
Molecular Weight371.33 g/mol
Exact Mass371.10
IUPAC NameN-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])nc3)ccc2F)n(C)n1
InChIInChI=1S/C17H14FN5O4/c1-10-7-15(22(2)21-10)17(24)20-14-8-11(3-5-13(14)18)27-12-4-6-16(19-9-12)23(25)26/h3-9H,1-2H3,(H,20,24)
InChIKeyXFXPVFHLQYDSRZ-UHFFFAOYSA-N
XLogP3.22
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.22
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-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25123227
4-nitro-N-[3-nitro-5-(3-pyridinyloxy)phenyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 3115024
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860587
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(1-methylpyrazol-4-yl)oxypyridine-2-carboxamide
CID 171092011
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1100794
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-2-carboxamide
CID 178299388
5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1-methylpyrazol-4-yl)oxypyridine-2-carboxamide
CID 178305977
4-(1,3-dimethylpyrazol-4-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 178316729
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 4564531
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860824
2-(5-Methyl-3-nitro-1H-pyrazol-1-YL)-N-[3-nitro-5-(3-pyridyloxy)phenyl]acetamide
CID 3099446
2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 3104815

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 68739416) is N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])nc3)ccc2F)n(C)n1.
What is the InChIKey of N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XFXPVFHLQYDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O4/c1-10-7-15(22(2)21-10)17(24)20-14-8-11(3-5-13(14)18)27-12-4-6-16(19-9-12)23(25)26/h3-9H,1-2H3,(H,20,24).
What are the key properties of N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 371.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(6-nitro-3-pyridinyl)oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 68739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).