1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone

C19H20F3N3O2 — CID 24952308

IUPAC1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-9-2-3-16(24)13-4-6-14(7-5-13)25-17-8-10-27-11-15(17)18(23-25)19(20,21)22/h4-7,16H,2-3,8-11H2,1H3
InChIKeyZMSSDJJANWIDLL-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.65
Rot. Bonds2

About 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone

1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone (PubChem CID 24952308) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone
PubChem CID24952308
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-9-2-3-16(24)13-4-6-14(7-5-13)25-17-8-10-27-11-15(17)18(23-25)19(20,21)22/h4-7,16H,2-3,8-11H2,1H3
InChIKeyZMSSDJJANWIDLL-UHFFFAOYSA-N
XLogP3.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone (CID 24952308) is 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1.
What is the InChIKey of 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZMSSDJJANWIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(26)24-9-2-3-16(24)13-4-6-14(7-5-13)25-17-8-10-27-11-15(17)18(23-25)19(20,21)22/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone?
1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone has a molecular weight of 379.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 24952308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).