N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C16H24N4O3 — CID 111463716

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C16H24N4O3/c1-5-10(2)16(4,23)9-17-14(21)8-12-11(3)19-13-6-7-18-20(13)15(12)22/h6-7,10,18,23H,5,8-9H2,1-4H3,(H,17,21)
InChIKeyRDFCEOIXFOEQHR-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.79
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 111463716) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID111463716
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C16H24N4O3/c1-5-10(2)16(4,23)9-17-14(21)8-12-11(3)19-13-6-7-18-20(13)15(12)22/h6-7,10,18,23H,5,8-9H2,1-4H3,(H,17,21)
InChIKeyRDFCEOIXFOEQHR-UHFFFAOYSA-N
XLogP0.79
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 111463716) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is CCC(C)C(C)(O)CNC(=O)Cc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is RDFCEOIXFOEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-10(2)16(4,23)9-17-14(21)8-12-11(3)19-13-6-7-18-20(13)15(12)22/h6-7,10,18,23H,5,8-9H2,1-4H3,(H,17,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 111463716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).