N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C19H24F3N7O — CID 55725989

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C(C)(C)C)n1
InChIInChI=1S/C19H24F3N7O/c1-10-9-14(29(26-10)18(4,5)6)24-15(30)8-7-13-11(2)23-17-25-16(19(20,21)22)27-28(17)12(13)3/h9H,7-8H2,1-6H3,(H,24,30)
InChIKeyXOLPQOWPWVHQCH-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.59
Rot. Bonds4

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 55725989) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID55725989
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C(C)(C)C)n1
InChIInChI=1S/C19H24F3N7O/c1-10-9-14(29(26-10)18(4,5)6)24-15(30)8-7-13-11(2)23-17-25-16(19(20,21)22)27-28(17)12(13)3/h9H,7-8H2,1-6H3,(H,24,30)
InChIKeyXOLPQOWPWVHQCH-UHFFFAOYSA-N
XLogP3.59
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863594
N-(2,5-difluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 126458233
[(1R,2S)-2-methylcyclopropyl]-[(3R)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 124350100
[(1S,2S)-2-methylcyclopropyl]-[(3R)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 124350101
N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 50961629
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
CID 53009111
3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 53009112
N-(2,5-difluorophenyl)-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
CID 53009119
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
CID 53009122
N-(4-fluorophenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863593
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
CID 17460504
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 17476485

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 55725989) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is XOLPQOWPWVHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-10-9-14(29(26-10)18(4,5)6)24-15(30)8-7-13-11(2)23-17-25-16(19(20,21)22)27-28(17)12(13)3/h9H,7-8H2,1-6H3,(H,24,30).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 423.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 55725989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).