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

C18H20F3N5O — CID 122650566

IUPAC3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole
SMILESCc1c(C2OC=CN2C)nn2c1CN(Cc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C18H20F3N5O/c1-12-15-11-25(10-14-4-3-13(9-22-14)18(19,20)21)5-6-26(15)23-16(12)17-24(2)7-8-27-17/h3-4,7-9,17H,5-6,10-11H2,1-2H3
InChIKeyWOZBNMWPEBCDKE-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.05
Rot. Bonds3

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

3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole (PubChem CID 122650566) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole
PubChem CID122650566
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole
SMILESCc1c(C2OC=CN2C)nn2c1CN(Cc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C18H20F3N5O/c1-12-15-11-25(10-14-4-3-13(9-22-14)18(19,20)21)5-6-26(15)23-16(12)17-24(2)7-8-27-17/h3-4,7-9,17H,5-6,10-11H2,1-2H3
InChIKeyWOZBNMWPEBCDKE-UHFFFAOYSA-N
XLogP3.05
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole?
The IUPAC name of 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole (CID 122650566) is 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole.
What is the SMILES notation for 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole?
The canonical SMILES for 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole is Cc1c(C2OC=CN2C)nn2c1CN(Cc1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole?
The InChIKey is WOZBNMWPEBCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-12-15-11-25(10-14-4-3-13(9-22-14)18(19,20)21)5-6-26(15)23-16(12)17-24(2)7-8-27-17/h3-4,7-9,17H,5-6,10-11H2,1-2H3.
What are the key properties of 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole?
3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole has a molecular weight of 379.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2H-1,3-oxazole is sourced from PubChem (CID 122650566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).