5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide

C11H9ClN4O3 — CID 115629952

IUPAC5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-5-13-15-10(6)14-11(17)8-4-7(12)2-3-9(8)16(18)19/h2-5H,1H3,(H2,13,14,15,17)
InChIKeyQAQDGPKDNLQVMY-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.53
Rot. Bonds3

About 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide

5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide (PubChem CID 115629952) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
PubChem CID115629952
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-5-13-15-10(6)14-11(17)8-4-7(12)2-3-9(8)16(18)19/h2-5H,1H3,(H2,13,14,15,17)
InChIKeyQAQDGPKDNLQVMY-UHFFFAOYSA-N
XLogP2.53
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.53
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

2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115630128
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-N-[5-(3,4-dimethylphenyl)pyrimidin-2-yl]-2-nitrobenzamide
CID 66586928
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
CID 113218119
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide (CID 115629952) is 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide is Cc1cn[nH]c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The InChIKey is QAQDGPKDNLQVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-6-5-13-15-10(6)14-11(17)8-4-7(12)2-3-9(8)16(18)19/h2-5H,1H3,(H2,13,14,15,17).
What are the key properties of 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide has a molecular weight of 280.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide is sourced from PubChem (CID 115629952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).