2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide

C11H9ClN4O3 — CID 112576364

IUPAC2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H9ClN4O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,1H3,(H,14,17)
InChIKeyYVKJOFWXJZCURP-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide

2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide (PubChem CID 112576364) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
PubChem CID112576364
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
SMILESCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H9ClN4O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,1H3,(H,14,17)
InChIKeyYVKJOFWXJZCURP-UHFFFAOYSA-N
XLogP2.23
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.23
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

2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112696742
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
2-amino-4-fluoro-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 99801874
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide
CID 106033223
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103853900
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide
CID 115930924
2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-nitrobenzamide
CID 115930995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide (CID 112576364) is 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide is Cn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
The InChIKey is YVKJOFWXJZCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-15-9(5-6-13-15)14-11(17)7-3-2-4-8(10(7)12)16(18)19/h2-6H,1H3,(H,14,17).
What are the key properties of 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide?
2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide has a molecular weight of 280.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 112576364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).