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Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

C22H21F3N4O2 — CID 110267649

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)16-5-1-6-18(12-16)31-11-8-17-13-19(28-27-17)20-7-3-10-29(20)21(30)15-4-2-9-26-14-15/h1-2,4-6,9,12-14,20H,3,7-8,10-11H2,(H,27,28)
InChIKeyNRMSHADXWPILPK-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.42
Rot. Bonds6

About Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 110267649) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound NamePyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID110267649
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Namepyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)16-5-1-6-18(12-16)31-11-8-17-13-19(28-27-17)20-7-3-10-29(20)21(30)15-4-2-9-26-14-15/h1-2,4-6,9,12-14,20H,3,7-8,10-11H2,(H,27,28)
InChIKeyNRMSHADXWPILPK-UHFFFAOYSA-N
XLogP4.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 110267649) is pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCCC1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is NRMSHADXWPILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)16-5-1-6-18(12-16)31-11-8-17-13-19(28-27-17)20-7-3-10-29(20)21(30)15-4-2-9-26-14-15/h1-2,4-6,9,12-14,20H,3,7-8,10-11H2,(H,27,28).
What are the key properties of Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?
Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110267649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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