2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole

C16H15F3N6O — CID 122650638

IUPAC2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
SMILESCc1c(-c2ncco2)nn2c1CN(Cc1cnc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C16H15F3N6O/c1-10-12-9-24(8-11-6-21-15(22-7-11)16(17,18)19)3-4-25(12)23-13(10)14-20-2-5-26-14/h2,5-7H,3-4,8-9H2,1H3
InChIKeyZJMXGUDBTRRLCM-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.67
Rot. Bonds3

About 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole

2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole (PubChem CID 122650638) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
PubChem CID122650638
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
SMILESCc1c(-c2ncco2)nn2c1CN(Cc1cnc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C16H15F3N6O/c1-10-12-9-24(8-11-6-21-15(22-7-11)16(17,18)19)3-4-25(12)23-13(10)14-20-2-5-26-14/h2,5-7H,3-4,8-9H2,1H3
InChIKeyZJMXGUDBTRRLCM-UHFFFAOYSA-N
XLogP2.67
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
CID 122650541
5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 178121670
2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122663135
5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 154867422
5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048281
8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 162770312
6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914433
5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122665015
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-oxazole
CID 89147288
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole (CID 122650638) is 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole is Cc1c(-c2ncco2)nn2c1CN(Cc1cnc(C(F)(F)F)nc1)CC2.
What is the InChIKey of 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is ZJMXGUDBTRRLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c1-10-12-9-24(8-11-6-21-15(22-7-11)16(17,18)19)3-4-25(12)23-13(10)14-20-2-5-26-14/h2,5-7H,3-4,8-9H2,1H3.
What are the key properties of 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 364.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 122650638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).