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

C16H24N4O3 — CID 91823101

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C16H24N4O3/c1-4-10(2)13(9-21)19-15(22)6-5-12-11(3)18-14-7-8-17-20(14)16(12)23/h7-8,10,13,17,21H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyINKCCXRPAHVLEF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.79
Rot. Bonds7

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

N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 91823101) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID91823101
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCC(C)C(CO)NC(=O)CCc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C16H24N4O3/c1-4-10(2)13(9-21)19-15(22)6-5-12-11(3)18-14-7-8-17-20(14)16(12)23/h7-8,10,13,17,21H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyINKCCXRPAHVLEF-UHFFFAOYSA-N
XLogP0.79
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 91823101) is N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCC(C)C(CO)NC(=O)CCc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is INKCCXRPAHVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-10(2)13(9-21)19-15(22)6-5-12-11(3)18-14-7-8-17-20(14)16(12)23/h7-8,10,13,17,21H,4-6,9H2,1-3H3,(H,19,22).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 320.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 91823101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).