2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C23H22ClF3N8O2 — CID 162378373

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cn1
InChIInChI=1S/C23H22ClF3N8O2/c1-13(2)34-22(15(24)11-29-34)16-8-19-32(20(36)6-7-33(19)30-16)12-14-4-5-18(28-10-14)35-21(37-3)9-17(31-35)23(25,26)27/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyYIDNLSFJDQVYOX-UHFFFAOYSA-N
MW534.93 g/mol
LogP4.53
Rot. Bonds6

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378373) has the molecular formula C23H22ClF3N8O2 and a molecular weight of 534.93 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID162378373
Molecular FormulaC23H22ClF3N8O2
Molecular Weight534.93 g/mol
Exact Mass534.15
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cn1
InChIInChI=1S/C23H22ClF3N8O2/c1-13(2)34-22(15(24)11-29-34)16-8-19-32(20(36)6-7-33(19)30-16)12-14-4-5-18(28-10-14)35-21(37-3)9-17(31-35)23(25,26)27/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyYIDNLSFJDQVYOX-UHFFFAOYSA-N
XLogP4.53
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378735
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378231
3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile
CID 162378328
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6-hydroxy-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378850
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378251
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
4-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841751
4-[[2-(2-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 53213062
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[3-(2,2-difluoroethoxy)-2-pyridinyl]phenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378830
4-[[3-chloro-4-(3-propan-2-yloxy-2-pyridinyl)phenyl]methyl]-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378102
2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378754
2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 22499710

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378373) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is COc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cn1.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YIDNLSFJDQVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N8O2/c1-13(2)34-22(15(24)11-29-34)16-8-19-32(20(36)6-7-33(19)30-16)12-14-4-5-18(28-10-14)35-21(37-3)9-17(31-35)23(25,26)27/h4-5,8-11,13H,6-7,12H2,1-3H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 534.93 g/mol, XLogP of 4.53, 6 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-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).