N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide

C19H18ClN5O3 — CID 55519144

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide
SMILESCc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H18ClN5O3/c1-13-11-18(24(23-13)15-6-4-5-14(20)12-15)22-19(26)9-10-21-16-7-2-3-8-17(16)25(27)28/h2-8,11-12,21H,9-10H2,1H3,(H,22,26)
InChIKeyLNRCONYVZLZLMM-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide (PubChem CID 55519144) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide
PubChem CID55519144
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide
SMILESCc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H18ClN5O3/c1-13-11-18(24(23-13)15-6-4-5-14(20)12-15)22-19(26)9-10-21-16-7-2-3-8-17(16)25(27)28/h2-8,11-12,21H,9-10H2,1H3,(H,22,26)
InChIKeyLNRCONYVZLZLMM-UHFFFAOYSA-N
XLogP4.18
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2-nitroanilino)propanamide
CID 55550892
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55377865
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
CID 46436330
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7795046
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 55766229
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2-nitroanilino)propanamide
CID 51328296
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
CID 16962812
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide (CID 55519144) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide is Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide?
The InChIKey is LNRCONYVZLZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-13-11-18(24(23-13)15-6-4-5-14(20)12-15)22-19(26)9-10-21-16-7-2-3-8-17(16)25(27)28/h2-8,11-12,21H,9-10H2,1H3,(H,22,26).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide has a molecular weight of 399.84 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 55519144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).