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

C16H19ClN4O — CID 20951621

IUPACN-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-11-9-16-20(7-4-8-21(16)19-11)10-15(22)18-14-6-3-5-13(17)12(14)2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyMECADVLHHGUYSZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.00
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20951621) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20951621
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-11-9-16-20(7-4-8-21(16)19-11)10-15(22)18-14-6-3-5-13(17)12(14)2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyMECADVLHHGUYSZ-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20951621) is N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCCN2CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is MECADVLHHGUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-9-16-20(7-4-8-21(16)19-11)10-15(22)18-14-6-3-5-13(17)12(14)2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 318.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20951621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).