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

C16H13N7O3 — CID 19530657

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1
InChIInChI=1S/C16H13N7O3/c1-11-7-15(23(25)26)21(20-11)10-14(24)19-16-12(8-17)9-18-22(16)13-5-3-2-4-6-13/h2-7,9H,10H2,1H3,(H,19,24)
InChIKeyJDRMIBAZYXHQKO-UHFFFAOYSA-N
MW351.33 g/mol
LogP1.80
Rot. Bonds5

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

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (PubChem CID 19530657) has the molecular formula C16H13N7O3 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
PubChem CID19530657
Molecular FormulaC16H13N7O3
Molecular Weight351.33 g/mol
Exact Mass351.11
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1
InChIInChI=1S/C16H13N7O3/c1-11-7-15(23(25)26)21(20-11)10-14(24)19-16-12(8-17)9-18-22(16)13-5-3-2-4-6-13/h2-7,9H,10H2,1H3,(H,19,24)
InChIKeyJDRMIBAZYXHQKO-UHFFFAOYSA-N
XLogP1.80
TPSA131.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 51.80
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-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530683
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519557
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)acetamide
CID 19523494
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135527995
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19551877
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042
dimethyl 5-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 19530422
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539533

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (CID 19530657) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])n(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The InChIKey is JDRMIBAZYXHQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O3/c1-11-7-15(23(25)26)21(20-11)10-14(24)19-16-12(8-17)9-18-22(16)13-5-3-2-4-6-13/h2-7,9H,10H2,1H3,(H,19,24).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide has a molecular weight of 351.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19530657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).