3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide

C17H26N4O2 — CID 47087074

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C17H26N4O2/c1-4-5-6-7-10-18-16(22)9-8-14-12(2)19-15-11-17(23)20-21(15)13(14)3/h11H,4-10H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyOWBGKYPOKNCENX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds8

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide (PubChem CID 47087074) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide
PubChem CID47087074
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C17H26N4O2/c1-4-5-6-7-10-18-16(22)9-8-14-12(2)19-15-11-17(23)20-21(15)13(14)3/h11H,4-10H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyOWBGKYPOKNCENX-UHFFFAOYSA-N
XLogP2.27
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide (CID 47087074) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide is CCCCCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide?
The InChIKey is OWBGKYPOKNCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-5-6-7-10-18-16(22)9-8-14-12(2)19-15-11-17(23)20-21(15)13(14)3/h11H,4-10H2,1-3H3,(H,18,22)(H,20,23).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-hexylpropanamide is sourced from PubChem (CID 47087074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).