N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide

C12H12N4O3 — CID 16962879

IUPACN-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O3/c1-15-7-6-11(14-15)13-12(17)8-9-4-2-3-5-10(9)16(18)19/h2-7H,8H2,1H3,(H,13,14,17)
InChIKeyNSTSCRICPAXMGX-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.51
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide

N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 16962879) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
PubChem CID16962879
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O3/c1-15-7-6-11(14-15)13-12(17)8-9-4-2-3-5-10(9)16(18)19/h2-7H,8H2,1H3,(H,13,14,17)
InChIKeyNSTSCRICPAXMGX-UHFFFAOYSA-N
XLogP1.51
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.51
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

2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
CID 60808344
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
2-(4-chloro-2-nitrophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
CID 75476896
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 55551404
4-methyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 16962883
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-nitrophenyl)acetamide
CID 56536137

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide (CID 16962879) is N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide is Cn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is NSTSCRICPAXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-7-6-11(14-15)13-12(17)8-9-4-2-3-5-10(9)16(18)19/h2-7H,8H2,1H3,(H,13,14,17).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide?
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 16962879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).