N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

C13H12Cl2N4O3 — CID 19533024

IUPACN-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12Cl2N4O3/c1-7-11(19(21)22)6-18(17-7)8(2)13(20)16-12-9(14)4-3-5-10(12)15/h3-6,8H,1-2H3,(H,16,20)
InChIKeyFMUQLXYRXNDILC-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.61
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19533024) has the molecular formula C13H12Cl2N4O3 and a molecular weight of 343.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19533024
Molecular FormulaC13H12Cl2N4O3
Molecular Weight343.17 g/mol
Exact Mass342.03
IUPAC NameN-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12Cl2N4O3/c1-7-11(19(21)22)6-18(17-7)8(2)13(20)16-12-9(14)4-3-5-10(12)15/h3-6,8H,1-2H3,(H,16,20)
InChIKeyFMUQLXYRXNDILC-UHFFFAOYSA-N
XLogP3.61
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.61
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-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335833
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19411922
(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533212
N-(2,6-dichlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528452
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19346627
N-(1-methylbenzimidazol-2-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533055
2-(3-methyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19533117
methyl 2-[[3,5-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazol-1-yl]methyl]benzoate
CID 19406763
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4771380
1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536375

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19533024) is N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is FMUQLXYRXNDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O3/c1-7-11(19(21)22)6-18(17-7)8(2)13(20)16-12-9(14)4-3-5-10(12)15/h3-6,8H,1-2H3,(H,16,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 343.17 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19533024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).