N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

C16H20N4O2 — CID 20951616

IUPACN-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCn3nc(C)cc32)c1
InChIInChI=1S/C16H20N4O2/c1-12-9-16-19(7-4-8-20(16)18-12)11-15(21)17-13-5-3-6-14(10-13)22-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,21)
InChIKeyHXUVHMUHFMLSBE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.05
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20951616) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20951616
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCn3nc(C)cc32)c1
InChIInChI=1S/C16H20N4O2/c1-12-9-16-19(7-4-8-20(16)18-12)11-15(21)17-13-5-3-6-14(10-13)22-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,21)
InChIKeyHXUVHMUHFMLSBE-UHFFFAOYSA-N
XLogP2.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20951616) is N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is COc1cccc(NC(=O)CN2CCCn3nc(C)cc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is HXUVHMUHFMLSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-9-16-19(7-4-8-20(16)18-12)11-15(21)17-13-5-3-6-14(10-13)22-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,17,21).
What are the key properties of N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20951616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).