N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C20H23FN4O — CID 51200959

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(F)cc3)c(C)n2n1
InChIInChI=1S/C20H23FN4O/c1-13-11-19-22-14(2)18(15(3)25(19)23-13)9-10-20(26)24(4)12-16-5-7-17(21)8-6-16/h5-8,11H,9-10,12H2,1-4H3
InChIKeyKLHRAGPIVZRTMX-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.38
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 51200959) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID51200959
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(F)cc3)c(C)n2n1
InChIInChI=1S/C20H23FN4O/c1-13-11-19-22-14(2)18(15(3)25(19)23-13)9-10-20(26)24(4)12-16-5-7-17(21)8-6-16/h5-8,11H,9-10,12H2,1-4H3
InChIKeyKLHRAGPIVZRTMX-UHFFFAOYSA-N
XLogP3.38
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38199779
N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38252510
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31285201
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34075902
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-ethyl-N-(2-hydroxyethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78821683
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 39757211
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 24514629
N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 86925475
(4-methylphenyl)methyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8782985
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 18113388
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 24551816

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 51200959) is N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(F)cc3)c(C)n2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is KLHRAGPIVZRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13-11-19-22-14(2)18(15(3)25(19)23-13)9-10-20(26)24(4)12-16-5-7-17(21)8-6-16/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 51200959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).