4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide

C20H26N4O2 — CID 20928934

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-16-15-19-23(20(26)11-14-24(19)22-16)13-6-10-18(25)21-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,25)
InChIKeyYKYYUKRKLWITAY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds8

About 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide (PubChem CID 20928934) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide
PubChem CID20928934
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-16-15-19-23(20(26)11-14-24(19)22-16)13-6-10-18(25)21-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,25)
InChIKeyYKYYUKRKLWITAY-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide (CID 20928934) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCc1ccccc1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide?
The InChIKey is YKYYUKRKLWITAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-15-19-23(20(26)11-14-24(19)22-16)13-6-10-18(25)21-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,25).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-phenylpropyl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 2.46, 8 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-(3-phenylpropyl)butanamide is sourced from PubChem (CID 20928934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).