1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide

C16H11F2N5O4 — CID 19268676

IUPAC1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1ccn(C(F)F)n1
InChIInChI=1S/C16H11F2N5O4/c17-16(18)22-5-3-14(21-22)15(24)20-10-6-11(23(25)26)8-13(7-10)27-12-2-1-4-19-9-12/h1-9,16H,(H,20,24)
InChIKeyGHTUIWJUXHVHLD-UHFFFAOYSA-N
MW375.29 g/mol
LogP3.63
Rot. Bonds6

About 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide (PubChem CID 19268676) has the molecular formula C16H11F2N5O4 and a molecular weight of 375.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide
PubChem CID19268676
Molecular FormulaC16H11F2N5O4
Molecular Weight375.29 g/mol
Exact Mass375.08
IUPAC Name1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1ccn(C(F)F)n1
InChIInChI=1S/C16H11F2N5O4/c17-16(18)22-5-3-14(21-22)15(24)20-10-6-11(23(25)26)8-13(7-10)27-12-2-1-4-19-9-12/h1-9,16H,(H,20,24)
InChIKeyGHTUIWJUXHVHLD-UHFFFAOYSA-N
XLogP3.63
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 53.63
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

1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
CID 3115023
4-nitro-N-[3-nitro-5-(3-pyridinyloxy)phenyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 3115024
1-(2-(pyridin-4-yl)ethyl)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431900
N-(4-(chlorodifluoromethoxy)phenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431901
US9840501, Example 93
CID 118485016
US9840501, Example 99
CID 118485029
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860587
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1100794
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 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide (CID 19268676) is 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide is O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide?
The InChIKey is GHTUIWJUXHVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O4/c17-16(18)22-5-3-14(21-22)15(24)20-10-6-11(23(25)26)8-13(7-10)27-12-2-1-4-19-9-12/h1-9,16H,(H,20,24).
What are the key properties of 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide has a molecular weight of 375.29 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).