3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C16H12F3N3O2 — CID 3684655

IUPAC3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFC(F)(F)Oc1ccc(-n2nc(-c3ccco3)c3c2NCC3)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-11-5-3-10(4-6-11)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h1-6,9,20H,7-8H2
InChIKeyUFZAXCKTYPIGDU-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.00
Rot. Bonds3

About 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3684655) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3684655
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFC(F)(F)Oc1ccc(-n2nc(-c3ccco3)c3c2NCC3)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-11-5-3-10(4-6-11)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h1-6,9,20H,7-8H2
InChIKeyUFZAXCKTYPIGDU-UHFFFAOYSA-N
XLogP4.00
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742771
1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 16769813
3-(Furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 63173008
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
3-(Furan-2-yl)-1-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 162668421
2-(3,5-dimethylphenyl)-5-(furan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 16770114
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 2742742
N-[3-(2-furyl)-1H-pyrazol-5-yl]-N-(4-methoxybenzyl)amine
CID 57411902
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 135955411
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 135955413
N-[1-(1,6-Dihydro-4,5-dimethyl-6-oxo-2-pyrimidinyl)-3-(2-furanyl)-1H-pyrazol-5-yl]-4-fluorobenzeneacetamide
CID 135955422

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3684655) is 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is FC(F)(F)Oc1ccc(-n2nc(-c3ccco3)c3c2NCC3)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is UFZAXCKTYPIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-11-5-3-10(4-6-11)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h1-6,9,20H,7-8H2.
What are the key properties of 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 335.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3684655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).