N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C15H21N5O2 — CID 17478700

IUPACN-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H21N5O2/c1-10-5-3-4-6-12(10)18-13(21)8-20-9-16-14-11(15(20)22)7-17-19(14)2/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyBBGOBENZBUNWKG-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.82
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17478700) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17478700
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H21N5O2/c1-10-5-3-4-6-12(10)18-13(21)8-20-9-16-14-11(15(20)22)7-17-19(14)2/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyBBGOBENZBUNWKG-UHFFFAOYSA-N
XLogP0.82
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17478700) is N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CC1CCCCC1NC(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is BBGOBENZBUNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-5-3-4-6-12(10)18-13(21)8-20-9-16-14-11(15(20)22)7-17-19(14)2/h7,9-10,12H,3-6,8H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17478700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).