N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide

C12H10Cl2N4O3 — CID 19538442

IUPACN-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])n1cc(Cl)cn1
InChIInChI=1S/C12H10Cl2N4O3/c1-7(17-6-9(14)5-15-17)12(19)16-10-3-2-8(13)4-11(10)18(20)21/h2-7H,1H3,(H,16,19)
InChIKeyODXDZJCTABGUJZ-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.30
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide

N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19538442) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
PubChem CID19538442
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])n1cc(Cl)cn1
InChIInChI=1S/C12H10Cl2N4O3/c1-7(17-6-9(14)5-15-17)12(19)16-10-3-2-8(13)4-11(10)18(20)21/h2-7H,1H3,(H,16,19)
InChIKeyODXDZJCTABGUJZ-UHFFFAOYSA-N
XLogP3.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.30
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

2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19533646
N-(4-chloro-2-nitrophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562450
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
N-(4-chloro-2-nitrophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538750
2-(4-chloropyrazol-1-yl)-N-(2-nitrophenyl)butanamide
CID 19549253
N-(4-chloro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62902136
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528150
2-(4-chloro-2-nitroanilino)propanoic acid
CID 43468856
1-tert-butyl-3-(4-chloro-2-nitrophenyl)urea
CID 113218543
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide (CID 19538442) is N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])n1cc(Cl)cn1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is ODXDZJCTABGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c1-7(17-6-9(14)5-15-17)12(19)16-10-3-2-8(13)4-11(10)18(20)21/h2-7H,1H3,(H,16,19).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 329.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19538442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).