2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H18F3N3O — CID 45147608

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H18F3N3O/c1-11-8-13-4-2-3-5-14(13)24(11)17(25)10-23-15(12-6-7-12)9-16(22-23)18(19,20)21/h2-5,9,11-12H,6-8,10H2,1H3
InChIKeyDHRRFVRDEXDIGV-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.76
Rot. Bonds3

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 45147608) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID45147608
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H18F3N3O/c1-11-8-13-4-2-3-5-14(13)24(11)17(25)10-23-15(12-6-7-12)9-16(22-23)18(19,20)21/h2-5,9,11-12H,6-8,10H2,1H3
InChIKeyDHRRFVRDEXDIGV-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 45147608) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DHRRFVRDEXDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-11-8-13-4-2-3-5-14(13)24(11)17(25)10-23-15(12-6-7-12)9-16(22-23)18(19,20)21/h2-5,9,11-12H,6-8,10H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 349.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 45147608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).