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

C23H23ClF3N9O — CID 162378231

IUPAC2-(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
SMILESCCn1cc(C(F)(F)F)nc1-c1cnc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)nc1
InChIInChI=1S/C23H23ClF3N9O/c1-4-33-11-17(23(25,26)27)31-22(33)14-8-28-18(29-9-14)12-34-19-7-16(32-35(19)6-5-20(34)37)21-15(24)10-30-36(21)13(2)3/h7-11,13H,4-6,12H2,1-3H3
InChIKeyCXSFNWUHBFPNMG-UHFFFAOYSA-N
MW533.95 g/mol
LogP4.61
Rot. Bonds6

About 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

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 (PubChem CID 162378231) has the molecular formula C23H23ClF3N9O and a molecular weight of 533.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID162378231
Molecular FormulaC23H23ClF3N9O
Molecular Weight533.95 g/mol
Exact Mass533.17
IUPAC Name2-(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
SMILESCCn1cc(C(F)(F)F)nc1-c1cnc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)nc1
InChIInChI=1S/C23H23ClF3N9O/c1-4-33-11-17(23(25,26)27)31-22(33)14-8-28-18(29-9-14)12-34-19-7-16(32-35(19)6-5-20(34)37)21-15(24)10-30-36(21)13(2)3/h7-11,13H,4-6,12H2,1-3H3
InChIKeyCXSFNWUHBFPNMG-UHFFFAOYSA-N
XLogP4.61
TPSA99.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.95
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378373
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744
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
(4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 162378906
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-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 162378103
1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
CID 162378667
2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 168841767
2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol
CID 162378753
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
2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378754

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc(C(F)(F)F)nc1-c1cnc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)nc1.
What is the InChIKey of 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?
The InChIKey is CXSFNWUHBFPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N9O/c1-4-33-11-17(23(25,26)27)31-22(33)14-8-28-18(29-9-14)12-34-19-7-16(32-35(19)6-5-20(34)37)21-15(24)10-30-36(21)13(2)3/h7-11,13H,4-6,12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 533.95 g/mol, XLogP of 4.61, 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-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).