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

C25H26ClF3N8O2 — CID 162378286

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC
InChIInChI=1S/C25H26ClF3N8O2/c1-5-34-13-19(25(27,28)29)31-23(34)16-7-6-15(10-18(16)39-4)12-35-20(38)8-9-36-24(35)32-22(33-36)21-17(26)11-30-37(21)14(2)3/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3
InChIKeyIEXQMHHROYOTDW-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.22
Rot. Bonds7

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

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378286) has the molecular formula C25H26ClF3N8O2 and a molecular weight of 562.98 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378286
Molecular FormulaC25H26ClF3N8O2
Molecular Weight562.98 g/mol
Exact Mass562.18
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC
InChIInChI=1S/C25H26ClF3N8O2/c1-5-34-13-19(25(27,28)29)31-23(34)16-7-6-15(10-18(16)39-4)12-35-20(38)8-9-36-24(35)32-22(33-36)21-17(26)11-30-37(21)14(2)3/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3
InChIKeyIEXQMHHROYOTDW-UHFFFAOYSA-N
XLogP5.22
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378286) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)nc32)cc1OC.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IEXQMHHROYOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N8O2/c1-5-34-13-19(25(27,28)29)31-23(34)16-7-6-15(10-18(16)39-4)12-35-20(38)8-9-36-24(35)32-22(33-36)21-17(26)11-30-37(21)14(2)3/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 562.98 g/mol, XLogP of 5.22, 7 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-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).