2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone

C21H19F3N4O — CID 39059283

IUPAC2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCc3ccccc32)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N4O/c1-13(2)19-16(20(29)27-10-9-14-5-3-4-6-17(14)27)12-26-28(19)18-8-7-15(11-25-18)21(22,23)24/h3-8,11-13H,9-10H2,1-2H3
InChIKeyCFJLEOSSWJDBDC-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.61
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone

2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (PubChem CID 39059283) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
PubChem CID39059283
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCc3ccccc32)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N4O/c1-13(2)19-16(20(29)27-10-9-14-5-3-4-6-17(14)27)12-26-28(19)18-8-7-15(11-25-18)21(22,23)24/h3-8,11-13H,9-10H2,1-2H3
InChIKeyCFJLEOSSWJDBDC-UHFFFAOYSA-N
XLogP4.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone (CID 39059283) is 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is CC(C)c1c(C(=O)N2CCc3ccccc32)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
The InChIKey is CFJLEOSSWJDBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-13(2)19-16(20(29)27-10-9-14-5-3-4-6-17(14)27)12-26-28(19)18-8-7-15(11-25-18)21(22,23)24/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone has a molecular weight of 400.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 39059283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).