N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C17H26N4O2 — CID 51106811

IUPACN-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-11-13(6-7-15(22)18-9-8-17(3,4)5)12(2)21-14(19-11)10-16(23)20-21/h10H,6-9H2,1-5H3,(H,18,22)(H,20,23)
InChIKeyAYMBENLPYMULKR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.12
Rot. Bonds5

About N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 51106811) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID51106811
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-11-13(6-7-15(22)18-9-8-17(3,4)5)12(2)21-14(19-11)10-16(23)20-21/h10H,6-9H2,1-5H3,(H,18,22)(H,20,23)
InChIKeyAYMBENLPYMULKR-UHFFFAOYSA-N
XLogP2.12
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 51106811) is N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is AYMBENLPYMULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-13(6-7-15(22)18-9-8-17(3,4)5)12(2)21-14(19-11)10-16(23)20-21/h10H,6-9H2,1-5H3,(H,18,22)(H,20,23).
What are the key properties of N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 51106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).