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

C16H24N4O2 — CID 20928867

IUPACN-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H24N4O2/c1-11-3-5-13(6-4-11)17-14(21)10-19-15-9-12(2)18-20(15)8-7-16(19)22/h9,11,13H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyBLWLPPGLKPFNKQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds3

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

N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20928867) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20928867
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H24N4O2/c1-11-3-5-13(6-4-11)17-14(21)10-19-15-9-12(2)18-20(15)8-7-16(19)22/h9,11,13H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyBLWLPPGLKPFNKQ-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20928867) is N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCC(=O)N2CC(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is BLWLPPGLKPFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-3-5-13(6-4-11)17-14(21)10-19-15-9-12(2)18-20(15)8-7-16(19)22/h9,11,13H,3-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20928867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).