1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide

C16H22N4O2 — CID 75382037

IUPAC1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)Nc2ccnc3ccnn23)CCCC1
InChIInChI=1S/C16H22N4O2/c1-2-22-12-9-16(7-3-4-8-16)15(21)19-14-5-10-17-13-6-11-18-20(13)14/h5-6,10-11H,2-4,7-9,12H2,1H3,(H,19,21)
InChIKeyXIBBARVRZRQLKI-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide

1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide (PubChem CID 75382037) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide
PubChem CID75382037
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)Nc2ccnc3ccnn23)CCCC1
InChIInChI=1S/C16H22N4O2/c1-2-22-12-9-16(7-3-4-8-16)15(21)19-14-5-10-17-13-6-11-18-20(13)14/h5-6,10-11H,2-4,7-9,12H2,1H3,(H,19,21)
InChIKeyXIBBARVRZRQLKI-UHFFFAOYSA-N
XLogP2.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.65
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 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide (CID 75382037) is 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide is CCOCCC1(C(=O)Nc2ccnc3ccnn23)CCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide?
The InChIKey is XIBBARVRZRQLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-22-12-9-16(7-3-4-8-16)15(21)19-14-5-10-17-13-6-11-18-20(13)14/h5-6,10-11H,2-4,7-9,12H2,1H3,(H,19,21).
What are the key properties of 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide?
1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 75382037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).