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

C19H24N4O2 — CID 46282397

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-15-14-18-22(12-5-13-23(18)21-15)19(25)9-8-17(24)20-11-10-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24)
InChIKeyHIWPUZPQJASHTK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds6

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

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 46282397) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID46282397
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-15-14-18-22(12-5-13-23(18)21-15)19(25)9-8-17(24)20-11-10-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24)
InChIKeyHIWPUZPQJASHTK-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282383
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
CID 118165651
5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 161423168
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 20929185
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 20887781
4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 92723497
2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 46282371
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
CID 118184676
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
CID 146949848

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-(2-phenylethyl)butanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (CID 46282397) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCCc1ccccc1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is HIWPUZPQJASHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-14-18-22(12-5-13-23(18)21-15)19(25)9-8-17(24)20-11-10-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-phenylethyl)butanamide is sourced from PubChem (CID 46282397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).