N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide

C11H10N4O3 — CID 14615576

IUPACN-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-4-2-3-5-10(9)15(17)18/h2-7H,1H3,(H,12,13,16)
InChIKeyRSCVURUKORQFNB-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide

N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide (PubChem CID 14615576) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide
PubChem CID14615576
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-4-2-3-5-10(9)15(17)18/h2-7H,1H3,(H,12,13,16)
InChIKeyRSCVURUKORQFNB-UHFFFAOYSA-N
XLogP1.74
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.74
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-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 14615578
N-(2-amino-2-oxoethyl)-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 64590610
N-(3-methylisoquinolin-1-yl)-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 166393655
1-(2-nitrophenyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 64590411
2-[1-(2-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818117
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 110002007
methyl 5-methyl-2-(2-nitrophenyl)triazole-4-carboxylate
CID 155933269
4-bromo-1-(2-nitrophenyl)pyrazole-3-carboxylic acid
CID 116818684
4-methyl-1-[[1-(2-nitrophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120688303
N-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 111459399
4-[(2-methylpropan-2-yl)oxy]-2-[[1-(2-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 120689207

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide (CID 14615576) is N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide?
The InChIKey is RSCVURUKORQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-4-2-3-5-10(9)15(17)18/h2-7H,1H3,(H,12,13,16).
What are the key properties of N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide?
N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-nitrophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 14615576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).