N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide

C11H10N4O3 — CID 14615578

IUPACN-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-2-4-10(5-3-9)15(17)18/h2-7H,1H3,(H,12,13,16)
InChIKeyNNMVPPMTRYIYRO-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide

N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide (PubChem CID 14615578) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
PubChem CID14615578
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-2-4-10(5-3-9)15(17)18/h2-7H,1H3,(H,12,13,16)
InChIKeyNNMVPPMTRYIYRO-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-(2-nitrophenyl)pyrazol-3-yl]acetamide
CID 14615576
N-[2-(ethylamino)ethyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 119507489
4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
CID 14615587
N-(2-hydroxypropyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 43501192
N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 120827751
3-(chloromethyl)-1-(4-nitrophenyl)pyrazole
CID 13384024
ethane;1-(4-nitrophenyl)-3-[(E)-prop-1-enyl]pyrazole
CID 145381536
N-(2-methylpentan-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 49365594
1-[1-(4-methylphenyl)-4-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 16680427
(2S)-4-methyl-2-[[1-(4-nitrophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 119361349
N-(2-amino-2-ethylbutyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119642145
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide (CID 14615578) is N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The InChIKey is NNMVPPMTRYIYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-8(16)12-11-6-7-14(13-11)9-2-4-10(5-3-9)15(17)18/h2-7H,1H3,(H,12,13,16).
What are the key properties of N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide?
N-[1-(4-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-(4-nitrophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 14615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).