N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C18H24N4O4 — CID 86264431

IUPACN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1COCC2
InChIInChI=1S/C18H24N4O4/c23-16(10-21-17(24)5-6-18(21)25)19-9-14-13-11-26-8-7-15(13)22(20-14)12-3-1-2-4-12/h12H,1-11H2,(H,19,23)
InChIKeyQDQBIGFBXWLGNM-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.84
Rot. Bonds5

About N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 86264431) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID86264431
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1COCC2
InChIInChI=1S/C18H24N4O4/c23-16(10-21-17(24)5-6-18(21)25)19-9-14-13-11-26-8-7-15(13)22(20-14)12-3-1-2-4-12/h12H,1-11H2,(H,19,23)
InChIKeyQDQBIGFBXWLGNM-UHFFFAOYSA-N
XLogP0.84
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 86264431) is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1COCC2.
What is the InChIKey of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is QDQBIGFBXWLGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-16(10-21-17(24)5-6-18(21)25)19-9-14-13-11-26-8-7-15(13)22(20-14)12-3-1-2-4-12/h12H,1-11H2,(H,19,23).
What are the key properties of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 86264431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).