N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide

C10H14N4O4 — CID 115878161

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1(CO)CCC1
InChIInChI=1S/C10H14N4O4/c15-7-10(3-1-4-10)11-9(16)6-13-5-2-8(12-13)14(17)18/h2,5,15H,1,3-4,6-7H2,(H,11,16)
InChIKeyFBZIMNQQGLXMNJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.18
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 115878161) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID115878161
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1(CO)CCC1
InChIInChI=1S/C10H14N4O4/c15-7-10(3-1-4-10)11-9(16)6-13-5-2-8(12-13)14(17)18/h2,5,15H,1,3-4,6-7H2,(H,11,16)
InChIKeyFBZIMNQQGLXMNJ-UHFFFAOYSA-N
XLogP-0.18
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.18
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 115878161) is N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is FBZIMNQQGLXMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7-10(3-1-4-10)11-9(16)6-13-5-2-8(12-13)14(17)18/h2,5,15H,1,3-4,6-7H2,(H,11,16).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 254.25 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 115878161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).