2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H16ClF4N3O2 — CID 118062580

IUPAC2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(CN2CC(C(F)(F)F)n3nc(-c4ccc(F)c(Cl)c4)cc3C2=O)cc1
InChIInChI=1S/C21H16ClF4N3O2/c1-31-14-5-2-12(3-6-14)10-28-11-19(21(24,25)26)29-18(20(28)30)9-17(27-29)13-4-7-16(23)15(22)8-13/h2-9,19H,10-11H2,1H3
InChIKeyGKKCAPWHZFYTJW-UHFFFAOYSA-N
MW453.82 g/mol
LogP5.11
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118062580) has the molecular formula C21H16ClF4N3O2 and a molecular weight of 453.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118062580
Molecular FormulaC21H16ClF4N3O2
Molecular Weight453.82 g/mol
Exact Mass453.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(CN2CC(C(F)(F)F)n3nc(-c4ccc(F)c(Cl)c4)cc3C2=O)cc1
InChIInChI=1S/C21H16ClF4N3O2/c1-31-14-5-2-12(3-6-14)10-28-11-19(21(24,25)26)29-18(20(28)30)9-17(27-29)13-4-7-16(23)15(22)8-13/h2-9,19H,10-11H2,1H3
InChIKeyGKKCAPWHZFYTJW-UHFFFAOYSA-N
XLogP5.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.82
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
CID 168510549
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 16321718
N-(3-Chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 20953562
N-(4-Chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 20953563
N-(4-chlorobenzyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
CID 22513131
(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351496
(5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351504
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 71698083
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 71698176
2-Chloro-6-fluoro-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}benzamide
CID 91892674
2,6-Difluoro-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}benzamide
CID 91892675

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118062580) is 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(CN2CC(C(F)(F)F)n3nc(-c4ccc(F)c(Cl)c4)cc3C2=O)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GKKCAPWHZFYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N3O2/c1-31-14-5-2-12(3-6-14)10-28-11-19(21(24,25)26)29-18(20(28)30)9-17(27-29)13-4-7-16(23)15(22)8-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 453.82 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118062580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).