3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide

C12H11ClN4O3 — CID 115692475

IUPAC3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H11ClN4O3/c1-2-7-6-14-16-11(7)15-12(18)8-3-9(13)5-10(4-8)17(19)20/h3-6H,2H2,1H3,(H2,14,15,16,18)
InChIKeyQSJDRUMKGADOHL-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.79
Rot. Bonds4

About 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide

3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide (PubChem CID 115692475) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide
PubChem CID115692475
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H11ClN4O3/c1-2-7-6-14-16-11(7)15-12(18)8-3-9(13)5-10(4-8)17(19)20/h3-6H,2H2,1H3,(H2,14,15,16,18)
InChIKeyQSJDRUMKGADOHL-UHFFFAOYSA-N
XLogP2.79
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535
N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
3-chloro-N-ethoxy-5-nitrobenzamide
CID 78994602
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
3-chloro-N-[2-(chloromethyl)phenyl]-5-nitrobenzamide
CID 114298509
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 112697051
3-chloro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 79039040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide (CID 115692475) is 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide is CCc1cn[nH]c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide?
The InChIKey is QSJDRUMKGADOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-2-7-6-14-16-11(7)15-12(18)8-3-9(13)5-10(4-8)17(19)20/h3-6H,2H2,1H3,(H2,14,15,16,18).
What are the key properties of 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide?
3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide has a molecular weight of 294.70 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide is sourced from PubChem (CID 115692475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).