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

C19H23F3N4 — CID 3413960

IUPAC3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(C(F)(F)F)cc3)c3c2CCN3)CC1
InChIInChI=1S/C19H23F3N4/c1-2-25-11-8-13(9-12-25)17-16-7-10-23-18(16)26(24-17)15-5-3-14(4-6-15)19(20,21)22/h3-6,13,23H,2,7-12H2,1H3
InChIKeyPLYZKAIAAVRCQP-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.06
Rot. Bonds3

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

3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3413960) has the molecular formula C19H23F3N4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3413960
Molecular FormulaC19H23F3N4
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(C(F)(F)F)cc3)c3c2CCN3)CC1
InChIInChI=1S/C19H23F3N4/c1-2-25-11-8-13(9-12-25)17-16-7-10-23-18(16)26(24-17)15-5-3-14(4-6-15)19(20,21)22/h3-6,13,23H,2,7-12H2,1H3
InChIKeyPLYZKAIAAVRCQP-UHFFFAOYSA-N
XLogP4.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3413960) is 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCN1CCC(c2nn(-c3ccc(C(F)(F)F)cc3)c3c2CCN3)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is PLYZKAIAAVRCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4/c1-2-25-11-8-13(9-12-25)17-16-7-10-23-18(16)26(24-17)15-5-3-14(4-6-15)19(20,21)22/h3-6,13,23H,2,7-12H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 364.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3413960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).