3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C20H18F3N3O2 — CID 3437665

IUPAC3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCOc1cccc(OC)c1-c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2
InChIInChI=1S/C20H18F3N3O2/c1-27-15-4-3-5-16(28-2)17(15)18-14-10-11-24-19(14)26(25-18)13-8-6-12(7-9-13)20(21,22)23/h3-9,24H,10-11H2,1-2H3
InChIKeyTYSPZHCFMMFAEZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.54
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3437665) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3437665
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCOc1cccc(OC)c1-c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2
InChIInChI=1S/C20H18F3N3O2/c1-27-15-4-3-5-16(28-2)17(15)18-14-10-11-24-19(14)26(25-18)13-8-6-12(7-9-13)20(21,22)23/h3-9,24H,10-11H2,1-2H3
InChIKeyTYSPZHCFMMFAEZ-UHFFFAOYSA-N
XLogP4.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3887589
3-(2,6-dichlorophenyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3970332
3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5095794
3-(2,6-dimethoxyphenyl)-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4222308
1-(3,5-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3950776
3-(2,6-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5113902
3-ethyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268812
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5097130
1-(3-bromophenyl)-3-(2,6-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3316179
3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3539356
1-(2,3-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3643839
3-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3925292

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3437665) is 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is COc1cccc(OC)c1-c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is TYSPZHCFMMFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-27-15-4-3-5-16(28-2)17(15)18-14-10-11-24-19(14)26(25-18)13-8-6-12(7-9-13)20(21,22)23/h3-9,24H,10-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 389.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3437665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).