N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide

C18H15ClN4O3 — CID 55377865

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN4O3/c1-11-9-17(22(21-11)14-6-3-5-13(19)10-14)20-18(24)15-7-4-8-16(12(15)2)23(25)26/h3-10H,1-2H3,(H,20,24)
InChIKeyLLWTUSPUPZGSBV-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.30
Rot. Bonds4

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide (PubChem CID 55377865) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
PubChem CID55377865
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN4O3/c1-11-9-17(22(21-11)14-6-3-5-13(19)10-14)20-18(24)15-7-4-8-16(12(15)2)23(25)26/h3-10H,1-2H3,(H,20,24)
InChIKeyLLWTUSPUPZGSBV-UHFFFAOYSA-N
XLogP4.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.30
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

5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
2-methyl-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 78715121
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide
CID 55519144
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7795046
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide (CID 55377865) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide is Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide?
The InChIKey is LLWTUSPUPZGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-11-9-17(22(21-11)14-6-3-5-13(19)10-14)20-18(24)15-7-4-8-16(12(15)2)23(25)26/h3-10H,1-2H3,(H,20,24).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide has a molecular weight of 370.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 55377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).