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

C24H28N4O — CID 134805501

IUPACN-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCCc1ccccc1)CCC2
InChIInChI=1S/C24H28N4O/c1-18-23(21-13-6-7-14-22(21)25-19(2)29)24-27(16-9-17-28(24)26-18)15-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14H,8-9,12,15-17H2,1-2H3,(H,25,29)
InChIKeyVUZNMTGGXCOFHI-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.66
Rot. Bonds6

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

N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (PubChem CID 134805501) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
PubChem CID134805501
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCCc1ccccc1)CCC2
InChIInChI=1S/C24H28N4O/c1-18-23(21-13-6-7-14-22(21)25-19(2)29)24-27(16-9-17-28(24)26-18)15-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14H,8-9,12,15-17H2,1-2H3,(H,25,29)
InChIKeyVUZNMTGGXCOFHI-UHFFFAOYSA-N
XLogP4.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (CID 134805501) is N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCCc1ccccc1)CCC2.
What is the InChIKey of N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The InChIKey is VUZNMTGGXCOFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-23(21-13-6-7-14-22(21)25-19(2)29)24-27(16-9-17-28(24)26-18)15-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14H,8-9,12,15-17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 134805501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).