(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

C20H15F3N2O3 — CID 7306126

IUPAC(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)O3)cc1
InChIInChI=1S/C20H15F3N2O3/c1-27-14-8-4-12(5-9-14)18-17-15(10-16(26)28-19(17)25-24-18)11-2-6-13(7-3-11)20(21,22)23/h2-9,15H,10H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyDFQJJHUZYUKTPZ-HNNXBMFYSA-N
MW388.35 g/mol
LogP4.55
Rot. Bonds3

About (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 7306126) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID7306126
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)O3)cc1
InChIInChI=1S/C20H15F3N2O3/c1-27-14-8-4-12(5-9-14)18-17-15(10-16(26)28-19(17)25-24-18)11-2-6-13(7-3-11)20(21,22)23/h2-9,15H,10H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyDFQJJHUZYUKTPZ-HNNXBMFYSA-N
XLogP4.55
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306248
(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306091
(4R)-4-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306089
3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302903
(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306086
(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306103
(4S)-4-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306232
6-amino-3-(4-ethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3957072
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (CID 7306126) is (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)O3)cc1.
What is the InChIKey of (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is DFQJJHUZYUKTPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-14-8-4-12(5-9-14)18-17-15(10-16(26)28-19(17)25-24-18)11-2-6-13(7-3-11)20(21,22)23/h2-9,15H,10H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 388.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 7306126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).