3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

C19H13ClF3N7O2 — CID 18361833

IUPAC3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4c(C(F)(F)F)nn(C)c4Cl)nn23)no1
InChIInChI=1S/C19H13ClF3N7O2/c1-9-7-13(28-32-9)17-25-24-16-10-5-3-4-6-11(10)18(27-30(16)17)31-8-12-14(19(21,22)23)26-29(2)15(12)20/h3-7H,8H2,1-2H3
InChIKeyWZHGRUYHPGIAMB-UHFFFAOYSA-N
MW463.81 g/mol
LogP4.23
Rot. Bonds4

About 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 18361833) has the molecular formula C19H13ClF3N7O2 and a molecular weight of 463.81 g/mol. Its IUPAC name is 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID18361833
Molecular FormulaC19H13ClF3N7O2
Molecular Weight463.81 g/mol
Exact Mass463.08
IUPAC Name3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4c(C(F)(F)F)nn(C)c4Cl)nn23)no1
InChIInChI=1S/C19H13ClF3N7O2/c1-9-7-13(28-32-9)17-25-24-16-10-5-3-4-6-11(10)18(27-30(16)17)31-8-12-14(19(21,22)23)26-29(2)15(12)20/h3-7H,8H2,1-2H3
InChIKeyWZHGRUYHPGIAMB-UHFFFAOYSA-N
XLogP4.23
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (CID 18361833) is 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nnc3c4ccccc4c(OCc4c(C(F)(F)F)nn(C)c4Cl)nn23)no1.
What is the InChIKey of 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is WZHGRUYHPGIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N7O2/c1-9-7-13(28-32-9)17-25-24-16-10-5-3-4-6-11(10)18(27-30(16)17)31-8-12-14(19(21,22)23)26-29(2)15(12)20/h3-7H,8H2,1-2H3.
What are the key properties of 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 463.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 18361833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).