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

C18H21F3N4 — CID 3315610

IUPAC3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc(CN3CCCCC3)c3c2NCC3)c1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)13-5-4-6-14(11-13)25-17-15(7-8-22-17)16(23-25)12-24-9-2-1-3-10-24/h4-6,11,22H,1-3,7-10,12H2
InChIKeySWCKCHZLQJUGNM-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.85
Rot. Bonds3

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

3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3315610) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3315610
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc(CN3CCCCC3)c3c2NCC3)c1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)13-5-4-6-14(11-13)25-17-15(7-8-22-17)16(23-25)12-24-9-2-1-3-10-24/h4-6,11,22H,1-3,7-10,12H2
InChIKeySWCKCHZLQJUGNM-UHFFFAOYSA-N
XLogP3.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3315610) is 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is FC(F)(F)c1cccc(-n2nc(CN3CCCCC3)c3c2NCC3)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is SWCKCHZLQJUGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c19-18(20,21)13-5-4-6-14(11-13)25-17-15(7-8-22-17)16(23-25)12-24-9-2-1-3-10-24/h4-6,11,22H,1-3,7-10,12H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 350.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3315610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).