(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C17H16F3N3O — CID 99819260

IUPAC(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)10-23-8-6-14(22-23)21-15(24)13-9-16(13)7-5-11-3-1-2-4-12(11)16/h1-4,6,8,13H,5,7,9-10H2,(H,21,22,24)/t13-,16+/m1/s1
InChIKeySZWPLGFVXGFDGG-CJNGLKHVSA-N
MW335.33 g/mol
LogP3.29
Rot. Bonds3

About (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 99819260) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID99819260
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)10-23-8-6-14(22-23)21-15(24)13-9-16(13)7-5-11-3-1-2-4-12(11)16/h1-4,6,8,13H,5,7,9-10H2,(H,21,22,24)/t13-,16+/m1/s1
InChIKeySZWPLGFVXGFDGG-CJNGLKHVSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 99819260) is (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is O=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1C[C@]12CCc1ccccc12.
What is the InChIKey of (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is SZWPLGFVXGFDGG-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)10-23-8-6-14(22-23)21-15(24)13-9-16(13)7-5-11-3-1-2-4-12(11)16/h1-4,6,8,13H,5,7,9-10H2,(H,21,22,24)/t13-,16+/m1/s1.
What are the key properties of (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
(1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3R)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 99819260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).