N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide

C18H24N4O3 — CID 126832701

IUPACN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1
InChIInChI=1S/C18H24N4O3/c1-2-3-4-9-25-12-17(23)20-14-7-8-16(19-11-14)22-18(24)10-15(21-22)13-5-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,23)
InChIKeyQSIHOKMYCCWODC-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.73
Rot. Bonds9

About N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide

N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide (PubChem CID 126832701) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide.

Molecular Properties

Compound NameN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide
PubChem CID126832701
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1
InChIInChI=1S/C18H24N4O3/c1-2-3-4-9-25-12-17(23)20-14-7-8-16(19-11-14)22-18(24)10-15(21-22)13-5-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,23)
InChIKeyQSIHOKMYCCWODC-UHFFFAOYSA-N
XLogP2.73
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide?
The IUPAC name of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide (CID 126832701) is N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide.
What is the SMILES notation for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide?
The canonical SMILES for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide is CCCCCOCC(=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1.
What is the InChIKey of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide?
The InChIKey is QSIHOKMYCCWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-3-4-9-25-12-17(23)20-14-7-8-16(19-11-14)22-18(24)10-15(21-22)13-5-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide?
N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide has a molecular weight of 344.42 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyclopropyl-5-oxo-4H-pyrazol-1-yl)-3-pyridinyl]-2-pentoxyacetamide is sourced from PubChem (CID 126832701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).