N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide

C11H16N4O3 — CID 4769554

IUPACN-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCC1
InChIInChI=1S/C11H16N4O3/c16-11(12-9-3-1-2-4-9)6-8-14-7-5-10(13-14)15(17)18/h5,7,9H,1-4,6,8H2,(H,12,16)
InChIKeyAXGLYXVUENHUIF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.24
Rot. Bonds5

About N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide

N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide (PubChem CID 4769554) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide
PubChem CID4769554
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCC1
InChIInChI=1S/C11H16N4O3/c16-11(12-9-3-1-2-4-9)6-8-14-7-5-10(13-14)15(17)18/h5,7,9H,1-4,6,8H2,(H,12,16)
InChIKeyAXGLYXVUENHUIF-UHFFFAOYSA-N
XLogP1.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide (CID 4769554) is N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide is O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide?
The InChIKey is AXGLYXVUENHUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-11(12-9-3-1-2-4-9)6-8-14-7-5-10(13-14)15(17)18/h5,7,9H,1-4,6,8H2,(H,12,16).
What are the key properties of N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide?
N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide has a molecular weight of 252.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).