N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide

C8H10N4O3 — CID 19521509

IUPACN-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CC1
InChIInChI=1S/C8H10N4O3/c13-8(9-6-1-2-6)5-11-4-3-7(10-11)12(14)15/h3-4,6H,1-2,5H2,(H,9,13)
InChIKeyACIIQFZEXYTZQJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.07
Rot. Bonds4

About N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide

N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521509) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521509
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CC1
InChIInChI=1S/C8H10N4O3/c13-8(9-6-1-2-6)5-11-4-3-7(10-11)12(14)15/h3-4,6H,1-2,5H2,(H,9,13)
InChIKeyACIIQFZEXYTZQJ-UHFFFAOYSA-N
XLogP0.07
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.07
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-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 62359969
N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521562
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 114630924
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 94609543
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 103280278
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47061410
N-cyclopropyl-2-(3-propan-2-ylpyrazol-1-yl)acetamide
CID 71846689
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115878161

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide (CID 19521509) is N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is ACIIQFZEXYTZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-8(9-6-1-2-6)5-11-4-3-7(10-11)12(14)15/h3-4,6H,1-2,5H2,(H,9,13).
What are the key properties of N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide?
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 210.19 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).