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

C22H24N4O — CID 134805843

IUPACN-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(Cc1ccccc1)CCC2
InChIInChI=1S/C22H24N4O/c1-16-21(19-11-6-7-12-20(19)23-17(2)27)22-25(13-8-14-26(22)24-16)15-18-9-4-3-5-10-18/h3-7,9-12H,8,13-15H2,1-2H3,(H,23,27)
InChIKeyYAGQCXTWGCFUNJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.23
Rot. Bonds4

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

N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide (PubChem CID 134805843) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide
PubChem CID134805843
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(Cc1ccccc1)CCC2
InChIInChI=1S/C22H24N4O/c1-16-21(19-11-6-7-12-20(19)23-17(2)27)22-25(13-8-14-26(22)24-16)15-18-9-4-3-5-10-18/h3-7,9-12H,8,13-15H2,1-2H3,(H,23,27)
InChIKeyYAGQCXTWGCFUNJ-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide?
The IUPAC name of N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide (CID 134805843) is N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1c(C)nn2c1N(Cc1ccccc1)CCC2.
What is the InChIKey of N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide?
The InChIKey is YAGQCXTWGCFUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-21(19-11-6-7-12-20(19)23-17(2)27)22-25(13-8-14-26(22)24-16)15-18-9-4-3-5-10-18/h3-7,9-12H,8,13-15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide?
N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzyl-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 134805843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).