2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

C17H22N4O3 — CID 19538791

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)n1nc([N+](=O)[O-])cc1C)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O3/c1-5-15(14-8-6-11(2)7-9-14)18-17(22)13(4)20-12(3)10-16(19-20)21(23)24/h6-10,13,15H,5H2,1-4H3,(H,18,22)
InChIKeyHCRYZUCMZPMRTJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.24
Rot. Bonds6

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 19538791) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID19538791
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)n1nc([N+](=O)[O-])cc1C)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O3/c1-5-15(14-8-6-11(2)7-9-14)18-17(22)13(4)20-12(3)10-16(19-20)21(23)24/h6-10,13,15H,5H2,1-4H3,(H,18,22)
InChIKeyHCRYZUCMZPMRTJ-UHFFFAOYSA-N
XLogP3.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.24
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-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538936
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19537869
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19338085
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (CID 19538791) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)n1nc([N+](=O)[O-])cc1C)c1ccc(C)cc1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is HCRYZUCMZPMRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-15(14-8-6-11(2)7-9-14)18-17(22)13(4)20-12(3)10-16(19-20)21(23)24/h6-10,13,15H,5H2,1-4H3,(H,18,22).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 19538791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).