2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide

C15H18N4O3 — CID 749624

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-14(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,20)
InChIKeyWKKZWEGRRUDACT-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.77
Rot. Bonds6

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 749624) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID749624
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-14(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,20)
InChIKeyWKKZWEGRRUDACT-UHFFFAOYSA-N
XLogP1.77
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.77
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

Ripazepam
CID 33474
N-benzyl-N-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 671670
N-(2,3-dihydro-1H-inden-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 1225817
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747520
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 1251996
N-benzyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259173
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide
CID 1504530
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 2235553
N-(4-cyanophenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 2235753
N-(4-acetylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2419909
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(1-phenyl-ethyl)-acetamide
CID 2861112

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide (CID 749624) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide is Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is WKKZWEGRRUDACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-15(19(21)22)12(2)18(17-11)10-14(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,20).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 749624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).