2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C18H15BrF3N5O — CID 162378754

IUPAC2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(Br)cc32)cc1
InChIInChI=1S/C18H15BrF3N5O/c1-25-10-13(18(20,21)22)23-17(25)12-4-2-11(3-5-12)9-26-15-8-14(19)24-27(15)7-6-16(26)28/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKZIOYTKEDKYQNU-UHFFFAOYSA-N
MW454.25 g/mol
LogP4.00
Rot. Bonds3

About 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378754) has the molecular formula C18H15BrF3N5O and a molecular weight of 454.25 g/mol. Its IUPAC name is 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID162378754
Molecular FormulaC18H15BrF3N5O
Molecular Weight454.25 g/mol
Exact Mass453.04
IUPAC Name2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(Br)cc32)cc1
InChIInChI=1S/C18H15BrF3N5O/c1-25-10-13(18(20,21)22)23-17(25)12-4-2-11(3-5-12)9-26-15-8-14(19)24-27(15)7-6-16(26)28/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKZIOYTKEDKYQNU-UHFFFAOYSA-N
XLogP4.00
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378735
6-chloro-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-1,4,6,8(12)-tetraene
CID 166107122
2-(2-ethoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157232026
2-(2-ethyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160615122
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-[4-[chloro(dideuterio)methyl]phenyl]-1-(trideuteriomethyl)-4-(trifluoromethyl)imidazole
CID 171056952
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
2-chloro-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pteridine
CID 170707534
2-[2-(3-methoxybutoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161238977
1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2-propan-2-ylphenyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 165406164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378754) is 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)CCn3nc(Br)cc32)cc1.
What is the InChIKey of 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is KZIOYTKEDKYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N5O/c1-25-10-13(18(20,21)22)23-17(25)12-4-2-11(3-5-12)9-26-15-8-14(19)24-27(15)7-6-16(26)28/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 454.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).