N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide

C11H16N4O4 — CID 103280278

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCC(O)C1
InChIInChI=1S/C11H16N4O4/c16-9-2-1-8(5-9)6-12-11(17)7-14-4-3-10(13-14)15(18)19/h3-4,8-9,16H,1-2,5-7H2,(H,12,17)
InChIKeyGKVPWCYUZNFPNN-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.07
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 103280278) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID103280278
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCC(O)C1
InChIInChI=1S/C11H16N4O4/c16-9-2-1-8(5-9)6-12-11(17)7-14-4-3-10(13-14)15(18)19/h3-4,8-9,16H,1-2,5-7H2,(H,12,17)
InChIKeyGKVPWCYUZNFPNN-UHFFFAOYSA-N
XLogP0.07
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.07
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-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 103280278) is N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is GKVPWCYUZNFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9-2-1-8(5-9)6-12-11(17)7-14-4-3-10(13-14)15(18)19/h3-4,8-9,16H,1-2,5-7H2,(H,12,17).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 103280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).