4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide

C16H24N4O3 — CID 20929157

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c1-12-10-15-19(7-3-8-20(15)18-12)16(22)6-5-14(21)17-11-13-4-2-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyKWNQXODJQBWERF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.00
Rot. Bonds5

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 20929157) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide
PubChem CID20929157
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c1-12-10-15-19(7-3-8-20(15)18-12)16(22)6-5-14(21)17-11-13-4-2-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyKWNQXODJQBWERF-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide (CID 20929157) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCC1CCCO1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is KWNQXODJQBWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-10-15-19(7-3-8-20(15)18-12)16(22)6-5-14(21)17-11-13-4-2-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 320.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 20929157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).