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

C16H14F3N5O — CID 122650541

IUPAC2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(CN2CCn3nc(-c4ncco4)cc3C2)cn1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)14-2-1-11(8-21-14)9-23-4-5-24-12(10-23)7-13(22-24)15-20-3-6-25-15/h1-3,6-8H,4-5,9-10H2
InChIKeyKYRNCDFTYQYCHC-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.97
Rot. Bonds3

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

2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole (PubChem CID 122650541) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
PubChem CID122650541
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(CN2CCn3nc(-c4ncco4)cc3C2)cn1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)14-2-1-11(8-21-14)9-23-4-5-24-12(10-23)7-13(22-24)15-20-3-6-25-15/h1-3,6-8H,4-5,9-10H2
InChIKeyKYRNCDFTYQYCHC-UHFFFAOYSA-N
XLogP2.97
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122663135
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
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 178121670
5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048281
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
5-(1H-indazol-6-ylmethyl)-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048173
5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122665015
2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931585

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole (CID 122650541) is 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole is FC(F)(F)c1ccc(CN2CCn3nc(-c4ncco4)cc3C2)cn1.
What is the InChIKey of 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is KYRNCDFTYQYCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)14-2-1-11(8-21-14)9-23-4-5-24-12(10-23)7-13(22-24)15-20-3-6-25-15/h1-3,6-8H,4-5,9-10H2.
What are the key properties of 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole?
2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 349.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 122650541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).