2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide

C13H12Cl2N4O3 — CID 19533646

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12Cl2N4O3/c1-7-10(15)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-12(11)19(21)22/h3-6,8H,1-2H3,(H,17,20)
InChIKeyFNSLURACBASGIP-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide (PubChem CID 19533646) has the molecular formula C13H12Cl2N4O3 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
PubChem CID19533646
Molecular FormulaC13H12Cl2N4O3
Molecular Weight343.17 g/mol
Exact Mass342.03
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12Cl2N4O3/c1-7-10(15)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-12(11)19(21)22/h3-6,8H,1-2H3,(H,17,20)
InChIKeyFNSLURACBASGIP-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

N-(4-chloro-2-nitrophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538750
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539034
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)-2-methylpropanamide
CID 19584563
N-(4-chloro-2-nitrophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562450
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 1257265
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19535373
2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769387

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide (CID 19533646) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide is Cc1c(Cl)cnn1C(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide?
The InChIKey is FNSLURACBASGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O3/c1-7-10(15)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-12(11)19(21)22/h3-6,8H,1-2H3,(H,17,20).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)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 2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide is sourced from PubChem (CID 19533646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).