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

C11H16N4O3 — CID 19521578

IUPACN-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1
InChIInChI=1S/C11H16N4O3/c16-11(12-9-4-2-1-3-5-9)8-14-7-6-10(13-14)15(17)18/h6-7,9H,1-5,8H2,(H,12,16)
InChIKeyGOSAMPQSKMCJRA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.24
Rot. Bonds4

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

N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521578) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521578
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1
InChIInChI=1S/C11H16N4O3/c16-11(12-9-4-2-1-3-5-9)8-14-7-6-10(13-14)15(17)18/h6-7,9H,1-5,8H2,(H,12,16)
InChIKeyGOSAMPQSKMCJRA-UHFFFAOYSA-N
XLogP1.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide (CID 19521578) is N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is GOSAMPQSKMCJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-11(12-9-4-2-1-3-5-9)8-14-7-6-10(13-14)15(17)18/h6-7,9H,1-5,8H2,(H,12,16).
What are the key properties of N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide?
N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).