N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide

C12H10Cl2N4O3 — CID 19565820

IUPACN-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)12(8)15-11(19)5-7-17-6-4-10(16-17)18(20)21/h1-4,6H,5,7H2,(H,15,19)
InChIKeyOKPFGPAGPMYSJH-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.13
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide

N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide (PubChem CID 19565820) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide
PubChem CID19565820
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC NameN-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)12(8)15-11(19)5-7-17-6-4-10(16-17)18(20)21/h1-4,6H,5,7H2,(H,15,19)
InChIKeyOKPFGPAGPMYSJH-UHFFFAOYSA-N
XLogP3.13
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.13
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

N-(3-chloro-2-methylphenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565797
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
3-(3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19565795
N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 843438
N-(1-methylbenzimidazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565850
N-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565838
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565922
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565980
N-(3-methoxy-5-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565880
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide (CID 19565820) is N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide is O=C(CCn1ccc([N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide?
The InChIKey is OKPFGPAGPMYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)12(8)15-11(19)5-7-17-6-4-10(16-17)18(20)21/h1-4,6H,5,7H2,(H,15,19).
What are the key properties of N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide?
N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide has a molecular weight of 329.14 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19565820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).