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

C19H31N5O2 — CID 20928960

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H31N5O2/c1-16-15-18-23(19(26)8-14-24(18)21-16)13-5-7-17(25)20-9-6-12-22-10-3-2-4-11-22/h15H,2-14H2,1H3,(H,20,25)
InChIKeyLNGGOWSPLHHCJN-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.70
Rot. Bonds8

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide (PubChem CID 20928960) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide
PubChem CID20928960
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H31N5O2/c1-16-15-18-23(19(26)8-14-24(18)21-16)13-5-7-17(25)20-9-6-12-22-10-3-2-4-11-22/h15H,2-14H2,1H3,(H,20,25)
InChIKeyLNGGOWSPLHHCJN-UHFFFAOYSA-N
XLogP1.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-piperidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide (CID 20928960) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide?
The InChIKey is LNGGOWSPLHHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-16-15-18-23(19(26)8-14-24(18)21-16)13-5-7-17(25)20-9-6-12-22-10-3-2-4-11-22/h15H,2-14H2,1H3,(H,20,25).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide has a molecular weight of 361.49 g/mol, XLogP of 1.70, 8 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-(3-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 20928960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).