N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C22H28N4O — CID 33142823

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3c(C)cccc3C(C)C)c(C)n2n1
InChIInChI=1S/C22H28N4O/c1-13(2)18-9-7-8-14(3)22(18)24-21(27)11-10-19-16(5)23-20-12-15(4)25-26(20)17(19)6/h7-9,12-13H,10-11H2,1-6H3,(H,24,27)
InChIKeyQAOIFYSZGRVPJM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.66
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 33142823) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID33142823
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3c(C)cccc3C(C)C)c(C)n2n1
InChIInChI=1S/C22H28N4O/c1-13(2)18-9-7-8-14(3)22(18)24-21(27)11-10-19-16(5)23-20-12-15(4)25-26(20)17(19)6/h7-9,12-13H,10-11H2,1-6H3,(H,24,27)
InChIKeyQAOIFYSZGRVPJM-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 9064453
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-(2,4-dimethylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8776996
N-(4-bromo-3-methylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8777486
N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679061
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71889968
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 33142823) is N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3c(C)cccc3C(C)C)c(C)n2n1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is QAOIFYSZGRVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-13(2)18-9-7-8-14(3)22(18)24-21(27)11-10-19-16(5)23-20-12-15(4)25-26(20)17(19)6/h7-9,12-13H,10-11H2,1-6H3,(H,24,27).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 33142823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).