3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

C17H20F3N3O2 — CID 18447118

IUPAC3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCc1c(OC2CCCC(NC(=O)CC(F)(F)F)C2)ccc2[nH]ncc12
InChIInChI=1S/C17H20F3N3O2/c1-10-13-9-21-23-14(13)5-6-15(10)25-12-4-2-3-11(7-12)22-16(24)8-17(18,19)20/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyMKRXWCKKIIQWLJ-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.63
Rot. Bonds4

About 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (PubChem CID 18447118) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
PubChem CID18447118
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCc1c(OC2CCCC(NC(=O)CC(F)(F)F)C2)ccc2[nH]ncc12
InChIInChI=1S/C17H20F3N3O2/c1-10-13-9-21-23-14(13)5-6-15(10)25-12-4-2-3-11(7-12)22-16(24)8-17(18,19)20/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyMKRXWCKKIIQWLJ-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (CID 18447118) is 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is Cc1c(OC2CCCC(NC(=O)CC(F)(F)F)C2)ccc2[nH]ncc12.
What is the InChIKey of 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The InChIKey is MKRXWCKKIIQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10-13-9-21-23-14(13)5-6-15(10)25-12-4-2-3-11(7-12)22-16(24)8-17(18,19)20/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 18447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).