3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H16F3N3O — CID 72924756

IUPAC3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)7-16-11(19)6-5-10-8-3-1-2-4-9(8)17-18-10/h1-7H2,(H,16,19)(H,17,18)
InChIKeyIGLFYJTVZCOVRV-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.90
Rot. Bonds4

About 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 72924756) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID72924756
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)7-16-11(19)6-5-10-8-3-1-2-4-9(8)17-18-10/h1-7H2,(H,16,19)(H,17,18)
InChIKeyIGLFYJTVZCOVRV-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 72924756) is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NCC(F)(F)F.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IGLFYJTVZCOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)7-16-11(19)6-5-10-8-3-1-2-4-9(8)17-18-10/h1-7H2,(H,16,19)(H,17,18).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 72924756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).