2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide

C13H21N5O3 — CID 99619640

IUPAC2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide
SMILESNc1c([N+](=O)[O-])cnn1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C13H21N5O3/c14-13-11(18(20)21)8-15-17(13)9-12(19)16-10-6-4-2-1-3-5-7-10/h8,10H,1-7,9,14H2,(H,16,19)
InChIKeyLMEUCKLQRGYNRI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.60
Rot. Bonds4

About 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide

2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide (PubChem CID 99619640) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide
PubChem CID99619640
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide
SMILESNc1c([N+](=O)[O-])cnn1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C13H21N5O3/c14-13-11(18(20)21)8-15-17(13)9-12(19)16-10-6-4-2-1-3-5-7-10/h8,10H,1-7,9,14H2,(H,16,19)
InChIKeyLMEUCKLQRGYNRI-UHFFFAOYSA-N
XLogP1.60
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19585684
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
CID 103222868
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
2-(5-amino-4-nitropyrazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 119036072
N-cyclohexyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219584
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 51096205
N-cyclooctyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 47771122
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide?
The IUPAC name of 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide (CID 99619640) is 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide?
The canonical SMILES for 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide is Nc1c([N+](=O)[O-])cnn1CC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide?
The InChIKey is LMEUCKLQRGYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c14-13-11(18(20)21)8-15-17(13)9-12(19)16-10-6-4-2-1-3-5-7-10/h8,10H,1-7,9,14H2,(H,16,19).
What are the key properties of 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide?
2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide is sourced from PubChem (CID 99619640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).