3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C19H15F4N3 — CID 4039479

IUPAC3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccccc1Cc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCN2
InChIInChI=1S/C19H15F4N3/c20-16-7-2-1-4-12(16)10-17-15-8-9-24-18(15)26(25-17)14-6-3-5-13(11-14)19(21,22)23/h1-7,11,24H,8-10H2
InChIKeyYQYGDYUPUKYCAW-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.59
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4039479) has the molecular formula C19H15F4N3 and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4039479
Molecular FormulaC19H15F4N3
Molecular Weight361.34 g/mol
Exact Mass361.12
IUPAC Name3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccccc1Cc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCN2
InChIInChI=1S/C19H15F4N3/c20-16-7-2-1-4-12(16)10-17-15-8-9-24-18(15)26(25-17)14-6-3-5-13(11-14)19(21,22)23/h1-7,11,24H,8-10H2
InChIKeyYQYGDYUPUKYCAW-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3539645
3-benzyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4015983
3-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5126981
1-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3877743
3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3539356
1-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3608135
1-(4-bromophenyl)-3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5107359
3-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4983934
1-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3258063
1-(2,3-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3996113
3-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3316229
1-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3986961

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4039479) is 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccccc1Cc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCN2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is YQYGDYUPUKYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3/c20-16-7-2-1-4-12(16)10-17-15-8-9-24-18(15)26(25-17)14-6-3-5-13(11-14)19(21,22)23/h1-7,11,24H,8-10H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 361.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).