2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide

C11H10FN5O3 — CID 99801874

IUPAC2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N
InChIInChI=1S/C11H10FN5O3/c1-16-10(2-3-14-16)15-11(18)6-4-9(17(19)20)7(12)5-8(6)13/h2-5H,13H2,1H3,(H,15,18)
InChIKeyVZCJRUMONWEVGI-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide

2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide (PubChem CID 99801874) has the molecular formula C11H10FN5O3 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
PubChem CID99801874
Molecular FormulaC11H10FN5O3
Molecular Weight279.23 g/mol
Exact Mass279.08
IUPAC Name2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N
InChIInChI=1S/C11H10FN5O3/c1-16-10(2-3-14-16)15-11(18)6-4-9(17(19)20)7(12)5-8(6)13/h2-5H,13H2,1H3,(H,15,18)
InChIKeyVZCJRUMONWEVGI-UHFFFAOYSA-N
XLogP1.30
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112696742
2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112576364
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 113305163
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538
2-fluoro-5-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 43377509
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 63302478
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide (CID 99801874) is 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide is Cn1nccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
The InChIKey is VZCJRUMONWEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O3/c1-16-10(2-3-14-16)15-11(18)6-4-9(17(19)20)7(12)5-8(6)13/h2-5H,13H2,1H3,(H,15,18).
What are the key properties of 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide?
2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide has a molecular weight of 279.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide is sourced from PubChem (CID 99801874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).