N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

C11H11N7O3 — CID 19530683

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C11H11N7O3/c1-7-3-10(18(20)21)17(15-7)6-9(19)14-11-8(4-12)5-13-16(11)2/h3,5H,6H2,1-2H3,(H,14,19)
InChIKeyAVDMTVODNIOUOK-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.34
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (PubChem CID 19530683) has the molecular formula C11H11N7O3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
PubChem CID19530683
Molecular FormulaC11H11N7O3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C11H11N7O3/c1-7-3-10(18(20)21)17(15-7)6-9(19)14-11-8(4-12)5-13-16(11)2/h3,5H,6H2,1-2H3,(H,14,19)
InChIKeyAVDMTVODNIOUOK-UHFFFAOYSA-N
XLogP0.34
TPSA131.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530657
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
dimethyl 5-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 19530422
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 19517631
N-(4-cyano-1-methylpyrazol-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 108737053
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-5-nitrobenzamide
CID 79497144
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
CID 79497143
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530708
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (CID 19530683) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2C)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The InChIKey is AVDMTVODNIOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O3/c1-7-3-10(18(20)21)17(15-7)6-9(19)14-11-8(4-12)5-13-16(11)2/h3,5H,6H2,1-2H3,(H,14,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide has a molecular weight of 289.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19530683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).