2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C25H24ClF5N8O2 — CID 162378221

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC(c1ccc(-n2nc(C(F)(F)F)cc2OCC(F)F)cc1)N1C(=O)CCn2nc(-c3c(Cl)cnn3C(C)C)nc21
InChIInChI=1S/C25H24ClF5N8O2/c1-13(2)38-22(17(26)11-32-38)23-33-24-36(35-23)9-8-20(40)37(24)14(3)15-4-6-16(7-5-15)39-21(41-12-19(27)28)10-18(34-39)25(29,30)31/h4-7,10-11,13-14,19H,8-9,12H2,1-3H3
InChIKeyJLGSOYFUHBDBQL-UHFFFAOYSA-N
MW598.96 g/mol
LogP5.72
Rot. Bonds8

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378221) has the molecular formula C25H24ClF5N8O2 and a molecular weight of 598.96 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378221
Molecular FormulaC25H24ClF5N8O2
Molecular Weight598.96 g/mol
Exact Mass598.16
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC(c1ccc(-n2nc(C(F)(F)F)cc2OCC(F)F)cc1)N1C(=O)CCn2nc(-c3c(Cl)cnn3C(C)C)nc21
InChIInChI=1S/C25H24ClF5N8O2/c1-13(2)38-22(17(26)11-32-38)23-33-24-36(35-23)9-8-20(40)37(24)14(3)15-4-6-16(7-5-15)39-21(41-12-19(27)28)10-18(34-39)25(29,30)31/h4-7,10-11,13-14,19H,8-9,12H2,1-3H3
InChIKeyJLGSOYFUHBDBQL-UHFFFAOYSA-N
XLogP5.72
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.96
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378221) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC(c1ccc(-n2nc(C(F)(F)F)cc2OCC(F)F)cc1)N1C(=O)CCn2nc(-c3c(Cl)cnn3C(C)C)nc21.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JLGSOYFUHBDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF5N8O2/c1-13(2)38-22(17(26)11-32-38)23-33-24-36(35-23)9-8-20(40)37(24)14(3)15-4-6-16(7-5-15)39-21(41-12-19(27)28)10-18(34-39)25(29,30)31/h4-7,10-11,13-14,19H,8-9,12H2,1-3H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 598.96 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).