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

C20H26N4O2 — CID 20928949

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-15(17-7-4-3-5-8-17)14-21-18(25)9-6-11-23-19-13-16(2)22-24(19)12-10-20(23)26/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyJSTBFVIZGBXMQY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds7

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide (PubChem CID 20928949) 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-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide
PubChem CID20928949
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-(2-phenylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-15(17-7-4-3-5-8-17)14-21-18(25)9-6-11-23-19-13-16(2)22-24(19)12-10-20(23)26/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyJSTBFVIZGBXMQY-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-phenylpropyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide (CID 20928949) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide?
The InChIKey is JSTBFVIZGBXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(17-7-4-3-5-8-17)14-21-18(25)9-6-11-23-19-13-16(2)22-24(19)12-10-20(23)26/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylpropyl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 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-phenylpropyl)butanamide is sourced from PubChem (CID 20928949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).