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

C20H21F3N4O — CID 35894971

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NCc3ccc(C(F)(F)F)cc3)c(C)n2n1
InChIInChI=1S/C20H21F3N4O/c1-12-10-18-25-13(2)17(14(3)27(18)26-12)8-9-19(28)24-11-15-4-6-16(7-5-15)20(21,22)23/h4-7,10H,8-9,11H2,1-3H3,(H,24,28)
InChIKeyBWKOZEUOMATYIZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.92
Rot. Bonds5

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

N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 35894971) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID35894971
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NCc3ccc(C(F)(F)F)cc3)c(C)n2n1
InChIInChI=1S/C20H21F3N4O/c1-12-10-18-25-13(2)17(14(3)27(18)26-12)8-9-19(28)24-11-15-4-6-16(7-5-15)20(21,22)23/h4-7,10H,8-9,11H2,1-3H3,(H,24,28)
InChIKeyBWKOZEUOMATYIZ-UHFFFAOYSA-N
XLogP3.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35809933
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978444
N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46475586
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039
N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34231119
N-[(4-fluorophenyl)methyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863605
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233
N-hexyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32646392
N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863172

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 35894971) is N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)NCc3ccc(C(F)(F)F)cc3)c(C)n2n1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is BWKOZEUOMATYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-12-10-18-25-13(2)17(14(3)27(18)26-12)8-9-19(28)24-11-15-4-6-16(7-5-15)20(21,22)23/h4-7,10H,8-9,11H2,1-3H3,(H,24,28).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 390.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 35894971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).