3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

C18H17N5O3 — CID 46412486

IUPAC3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H17N5O3/c24-18(9-10-19-16-6-1-2-7-17(16)23(25)26)21-14-5-3-4-13(12-14)15-8-11-20-22-15/h1-8,11-12,19H,9-10H2,(H,20,22)(H,21,24)
InChIKeyATEPISNXMDSWFI-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.43
Rot. Bonds7

About 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 46412486) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID46412486
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H17N5O3/c24-18(9-10-19-16-6-1-2-7-17(16)23(25)26)21-14-5-3-4-13(12-14)15-8-11-20-22-15/h1-8,11-12,19H,9-10H2,(H,20,22)(H,21,24)
InChIKeyATEPISNXMDSWFI-UHFFFAOYSA-N
XLogP3.43
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
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

N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
N-[2-methyl-5-(propanoylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 46478294
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
3-(2-nitroanilino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 47044436
N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 47067450
N-(2,5-dibromo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 71849761
1-[[3-[3-(2-nitroanilino)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55767843
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide (CID 46412486) is 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is ATEPISNXMDSWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(9-10-19-16-6-1-2-7-17(16)23(25)26)21-14-5-3-4-13(12-14)15-8-11-20-22-15/h1-8,11-12,19H,9-10H2,(H,20,22)(H,21,24).
What are the key properties of 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide?
3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 46412486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).