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

C19H24N4O2 — CID 20928941

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-15-14-18-22(19(25)10-13-23(18)21-15)12-5-8-17(24)20-11-9-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24)
InChIKeyBYMUHRHPSWEJGX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds7

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide (PubChem CID 20928941) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
PubChem CID20928941
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-15-14-18-22(19(25)10-13-23(18)21-15)12-5-8-17(24)20-11-9-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24)
InChIKeyBYMUHRHPSWEJGX-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
5-Benzyl-4,8,11,11-tetramethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 9883678
N-(3-tert-Butyl-1-methyl-5-pyrazolyl)-N'-(4-(4-acetaminophenyl)methylphenyl)urea
CID 44286313
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
(5S)-5-amino-3-benzyl-7-hydroxy-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 71059324
US9763922, Example 44
CID 121372691
1-[1-(cyclopropylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372879
1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-[1-methyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372897

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide (CID 20928941) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCc1ccccc1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is BYMUHRHPSWEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-14-18-22(19(25)10-13-23(18)21-15)12-5-8-17(24)20-11-9-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,24).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-phenylethyl)butanamide is sourced from PubChem (CID 20928941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).