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

C20H28N4O — CID 134808574

IUPACN-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCC(C)C)CCC2
InChIInChI=1S/C20H28N4O/c1-14(2)10-13-23-11-7-12-24-20(23)19(15(3)22-24)17-8-5-6-9-18(17)21-16(4)25/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25)
InChIKeyGYZBEMRTPWEUSR-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.07
Rot. Bonds5

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

N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (PubChem CID 134808574) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
PubChem CID134808574
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCC(C)C)CCC2
InChIInChI=1S/C20H28N4O/c1-14(2)10-13-23-11-7-12-24-20(23)19(15(3)22-24)17-8-5-6-9-18(17)21-16(4)25/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25)
InChIKeyGYZBEMRTPWEUSR-UHFFFAOYSA-N
XLogP4.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.07
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-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (CID 134808574) is N-[2-[2-methyl-4-(3-methylbutyl)-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-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1c(C)nn2c1N(CCC(C)C)CCC2.
What is the InChIKey of N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The InChIKey is GYZBEMRTPWEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)10-13-23-11-7-12-24-20(23)19(15(3)22-24)17-8-5-6-9-18(17)21-16(4)25/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25).
What are the key properties of N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
N-[2-[2-methyl-4-(3-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.07, 5 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-methylbutyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 134808574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).