N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide

C14H23N3O2 — CID 126830932

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NCc1cc2n(n1)CCC2
InChIInChI=1S/C14H23N3O2/c1-2-3-4-8-19-11-14(18)15-10-12-9-13-6-5-7-17(13)16-12/h9H,2-8,10-11H2,1H3,(H,15,18)
InChIKeyFKTBNVHLXHCTGP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds8

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide (PubChem CID 126830932) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide
PubChem CID126830932
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NCc1cc2n(n1)CCC2
InChIInChI=1S/C14H23N3O2/c1-2-3-4-8-19-11-14(18)15-10-12-9-13-6-5-7-17(13)16-12/h9H,2-8,10-11H2,1H3,(H,15,18)
InChIKeyFKTBNVHLXHCTGP-UHFFFAOYSA-N
XLogP1.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 45153901
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-ethoxyacetamide
CID 49670889
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808539
2-ethoxy-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
CID 70741024
2-(2-methoxyethoxy)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 91785892
(1S)-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 164639699
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-2-methoxyacetamide
CID 71807722
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-2-ethoxyacetamide
CID 121139506
N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide
CID 167308030
2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 19525706
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide
CID 35284416

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide (CID 126830932) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide is CCCCCOCC(=O)NCc1cc2n(n1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide?
The InChIKey is FKTBNVHLXHCTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-8-19-11-14(18)15-10-12-9-13-6-5-7-17(13)16-12/h9H,2-8,10-11H2,1H3,(H,15,18).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide is sourced from PubChem (CID 126830932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).