1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one

C20H20F3N3O — CID 25014668

IUPAC1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2C1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)18-11-17(12-3-4-12)26(24-18)15-6-5-13-8-16(10-14(13)9-15)25-7-1-2-19(25)27/h5-6,9,11-12,16H,1-4,7-8,10H2/t16-/m0/s1
InChIKeyXVGFGUGATUKTDL-INIZCTEOSA-N
MW375.39 g/mol
LogP3.86
Rot. Bonds3

About 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one

1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one (PubChem CID 25014668) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
PubChem CID25014668
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2C1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)18-11-17(12-3-4-12)26(24-18)15-6-5-13-8-16(10-14(13)9-15)25-7-1-2-19(25)27/h5-6,9,11-12,16H,1-4,7-8,10H2/t16-/m0/s1
InChIKeyXVGFGUGATUKTDL-INIZCTEOSA-N
XLogP3.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one (CID 25014668) is 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one is O=C1CCCN1[C@H]1Cc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2C1.
What is the InChIKey of 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
The InChIKey is XVGFGUGATUKTDL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)18-11-17(12-3-4-12)26(24-18)15-6-5-13-8-16(10-14(13)9-15)25-7-1-2-19(25)27/h5-6,9,11-12,16H,1-4,7-8,10H2/t16-/m0/s1.
What are the key properties of 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one?
1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one has a molecular weight of 375.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 25014668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).