2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C19H26N6O3 — CID 51148609

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C19H26N6O3/c1-13-11-16(23-9-7-22(4)8-10-23)5-6-17(13)20-18(26)12-24-15(3)19(25(27)28)14(2)21-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,26)
InChIKeyNTKGFSWJHTURSZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.11
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 51148609) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID51148609
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C19H26N6O3/c1-13-11-16(23-9-7-22(4)8-10-23)5-6-17(13)20-18(26)12-24-15(3)19(25(27)28)14(2)21-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,26)
InChIKeyNTKGFSWJHTURSZ-UHFFFAOYSA-N
XLogP2.11
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 24652767
N-(4-bromo-2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 29457248
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 19580192
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277807
methyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 34000551
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 16958453
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32604098
N-[4-(difluoromethoxy)-2-methylphenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557852
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19557792
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2425463
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629995
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 51148609) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is NTKGFSWJHTURSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-11-16(23-9-7-22(4)8-10-23)5-6-17(13)20-18(26)12-24-15(3)19(25(27)28)14(2)21-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,26).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 51148609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).