3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide

C17H26N4O2 — CID 53544041

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCCC(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)6-5-9-18-16(22)8-7-14-12(3)19-15-10-17(23)20-21(15)13(14)4/h10-11H,5-9H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyKQMCJMAIOYOSBQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.60
Rot. Bonds7

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide (PubChem CID 53544041) has the molecular formula C17H26N4O2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide
PubChem CID53544041
Molecular FormulaC17H26N4O2
Molecular Weight318.40 g/mol
Exact Mass318.21
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCCC(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)6-5-9-18-16(22)8-7-14-12(3)19-15-10-17(23)20-21(15)13(14)4/h10-11H,5-9H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyKQMCJMAIOYOSBQ-UHFFFAOYSA-N
XLogP1.60
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity587

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.60
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-(4-methylpentyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide (CID 53544041) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide is CC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)NCCCC(C)C.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide?
The InChIKey is KQMCJMAIOYOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)6-5-9-18-16(22)8-7-14-12(3)19-15-10-17(23)20-21(15)13(14)4/h10-11H,5-9H2,1-4H3,(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-(4-methylpentyl)propanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 1.60, 7 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-(4-methylpentyl)propanamide is sourced from PubChem (CID 53544041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).