N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H26N4O3 — CID 111485511

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C17H26N4O3/c1-11(2)5-7-17(4,24)10-18-15(22)9-13-12(3)20-14-6-8-19-21(14)16(13)23/h6,8,11,19,24H,5,7,9-10H2,1-4H3,(H,18,22)
InChIKeyRGYCDDGSMODYNX-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.18
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 111485511) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID111485511
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C17H26N4O3/c1-11(2)5-7-17(4,24)10-18-15(22)9-13-12(3)20-14-6-8-19-21(14)16(13)23/h6,8,11,19,24H,5,7,9-10H2,1-4H3,(H,18,22)
InChIKeyRGYCDDGSMODYNX-UHFFFAOYSA-N
XLogP1.18
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 111485511) is N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(C)(O)CCC(C)C.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is RGYCDDGSMODYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)5-7-17(4,24)10-18-15(22)9-13-12(3)20-14-6-8-19-21(14)16(13)23/h6,8,11,19,24H,5,7,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 111485511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).