N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide

C14H14Cl2N4O3 — CID 7064788

IUPACN-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O3/c1-9-7-13(20(22)23)18-19(9)6-2-3-14(21)17-12-5-4-10(15)8-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,21)
InChIKeyOPLIMYSLUQZSNB-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.83
Rot. Bonds6

About N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide

N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide (PubChem CID 7064788) has the molecular formula C14H14Cl2N4O3 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
PubChem CID7064788
Molecular FormulaC14H14Cl2N4O3
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC NameN-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O3/c1-9-7-13(20(22)23)18-19(9)6-2-3-14(21)17-12-5-4-10(15)8-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,21)
InChIKeyOPLIMYSLUQZSNB-UHFFFAOYSA-N
XLogP3.83
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide (CID 7064788) is N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide is Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The InChIKey is OPLIMYSLUQZSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3/c1-9-7-13(20(22)23)18-19(9)6-2-3-14(21)17-12-5-4-10(15)8-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,21).
What are the key properties of N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide?
N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide has a molecular weight of 357.20 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 7064788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).