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

C15H18N4O3 — CID 1251996

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C15H18N4O3/c1-9-5-6-13(7-10(9)2)16-14(20)8-18-12(4)15(19(21)22)11(3)17-18/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyGAUQGILTWGVYPE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.66
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 1251996) 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-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID1251996
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C15H18N4O3/c1-9-5-6-13(7-10(9)2)16-14(20)8-18-12(4)15(19(21)22)11(3)17-18/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyGAUQGILTWGVYPE-UHFFFAOYSA-N
XLogP2.66
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.66
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-(3,4-dimethylphenyl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084302
N-(2,3-dihydro-1H-inden-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 1225817
N-(3,4-dimethylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747514
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-(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
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanehydrazide
CID 9665112
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 997550
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone
CID 749118

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 1251996) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is GAUQGILTWGVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-5-6-13(7-10(9)2)16-14(20)8-18-12(4)15(19(21)22)11(3)17-18/h5-7H,8H2,1-4H3,(H,16,20).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 2.66, 4 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 1251996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).