N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide

C11H10N4O3 — CID 71934897

IUPACN-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C11H10N4O3/c1-7(16)12-11-6-10(13-14-11)8-3-2-4-9(5-8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyUKPNKMNMXDOVIV-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.94
Rot. Bonds3

About N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide

N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 71934897) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID71934897
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C11H10N4O3/c1-7(16)12-11-6-10(13-14-11)8-3-2-4-9(5-8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyUKPNKMNMXDOVIV-UHFFFAOYSA-N
XLogP1.94
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S,4S)-2-methyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxamide
CID 120634843
3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide
CID 47089412
tert-butyl N-[3-[[5-(3-nitrophenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]carbamate
CID 47089411
(2R,4R)-2-ethyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 99782280
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
benzyl 3-[[5-(3-nitrophenyl)-1H-pyrazol-3-yl]carbamoylamino]benzoate
CID 166264327
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[5-tert-butyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]acetamide
CID 139230312
methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
CID 139318660

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide (CID 71934897) is N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1.
What is the InChIKey of N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is UKPNKMNMXDOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7(16)12-11-6-10(13-14-11)8-3-2-4-9(5-8)15(17)18/h2-6H,1H3,(H2,12,13,14,16).
What are the key properties of N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide?
N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 71934897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).