N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

C17H22N4O — CID 20951619

IUPACN-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H22N4O/c1-12-6-4-7-13(2)17(12)18-15(22)11-20-8-5-9-21-16(20)10-14(3)19-21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,22)
InChIKeyKMIZMYBDVQPDJP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.66
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20951619) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20951619
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H22N4O/c1-12-6-4-7-13(2)17(12)18-15(22)11-20-8-5-9-21-16(20)10-14(3)19-21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,22)
InChIKeyKMIZMYBDVQPDJP-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20951619) is N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCCN2CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is KMIZMYBDVQPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-6-4-7-13(2)17(12)18-15(22)11-20-8-5-9-21-16(20)10-14(3)19-21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20951619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).