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

C16H24N4O3 — CID 20928942

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c1-12-10-15-19(16(22)6-8-20(15)18-12)7-2-5-14(21)17-11-13-4-3-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyDTISFYWLBWSAAK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.00
Rot. Bonds6

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 20928942) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID20928942
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c1-12-10-15-19(16(22)6-8-20(15)18-12)7-2-5-14(21)17-11-13-4-3-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21)
InChIKeyDTISFYWLBWSAAK-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 46282340
N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 46282334
N-[[(2R)-oxolan-2-yl]methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 92745318
N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241707
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 15993422
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8713475
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046210

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 20928942) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC1CCCO1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is DTISFYWLBWSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-10-15-19(16(22)6-8-20(15)18-12)7-2-5-14(21)17-11-13-4-3-9-23-13/h10,13H,2-9,11H2,1H3,(H,17,21).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 320.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 20928942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).