N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide

C11H9FN4O3 — CID 157051605

IUPACN-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN4O3/c1-15-10(4-5-13-15)11(17)14-9-6-7(16(18)19)2-3-8(9)12/h2-6H,1H3,(H,14,17)
InChIKeyAAGSSHWTPLOWMV-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.72
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide

N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 157051605) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID157051605
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN4O3/c1-15-10(4-5-13-15)11(17)14-9-6-7(16(18)19)2-3-8(9)12/h2-6H,1H3,(H,14,17)
InChIKeyAAGSSHWTPLOWMV-UHFFFAOYSA-N
XLogP1.72
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556
N-(2-fluoro-5-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86827659
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 17023033
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide (CID 157051605) is N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is AAGSSHWTPLOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-15-10(4-5-13-15)11(17)14-9-6-7(16(18)19)2-3-8(9)12/h2-6H,1H3,(H,14,17).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide?
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 264.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 157051605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).