2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

C16H13N5O3 — CID 75422980

IUPAC2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C16H13N5O3/c22-16(9-11-2-1-3-13(8-11)21(23)24)18-15-10-14(19-20-15)12-4-6-17-7-5-12/h1-8,10H,9H2,(H2,18,19,20,22)
InChIKeyCQCXCNHOGFMECS-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 75422980) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
PubChem CID75422980
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C16H13N5O3/c22-16(9-11-2-1-3-13(8-11)21(23)24)18-15-10-14(19-20-15)12-4-6-17-7-5-12/h1-8,10H,9H2,(H2,18,19,20,22)
InChIKeyCQCXCNHOGFMECS-UHFFFAOYSA-N
XLogP2.56
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147
3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide
CID 47089412
sodium 2-(3-nitrophenyl)acetate
CID 20571503
benzyl 3-[[5-(3-nitrophenyl)-1H-pyrazol-3-yl]carbamoylamino]benzoate
CID 166264327
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
CID 174146036
[2-(3-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7788413

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (CID 75422980) is 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccncc2)[nH]n1.
What is the InChIKey of 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is CQCXCNHOGFMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-16(9-11-2-1-3-13(8-11)21(23)24)18-15-10-14(19-20-15)12-4-6-17-7-5-12/h1-8,10H,9H2,(H2,18,19,20,22).
What are the key properties of 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75422980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).