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

C13H12F3N3 — CID 167786376

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)(F)c1cccc(Cn2cc3c(n2)CNC3)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-3-1-2-9(4-11)7-19-8-10-5-17-6-12(10)18-19/h1-4,8,17H,5-7H2
InChIKeyPMZJJZZGQSKTCV-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.55
Rot. Bonds2

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

2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 167786376) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID167786376
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)(F)c1cccc(Cn2cc3c(n2)CNC3)c1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-3-1-2-9(4-11)7-19-8-10-5-17-6-12(10)18-19/h1-4,8,17H,5-7H2
InChIKeyPMZJJZZGQSKTCV-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
CID 67186508
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
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CID 134518216
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 167786376) is 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is FC(F)(F)c1cccc(Cn2cc3c(n2)CNC3)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is PMZJJZZGQSKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-3-1-2-9(4-11)7-19-8-10-5-17-6-12(10)18-19/h1-4,8,17H,5-7H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 267.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 167786376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).