3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C15H15F3N4O — CID 95297576

IUPAC3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESO=C(CCn1ccnn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-10(12)11-9-13(11)20-14(23)5-7-22-8-6-19-21-22/h1-4,6,8,11,13H,5,7,9H2,(H,20,23)/t11-,13-/m0/s1
InChIKeyVRSJEASVHFIVFS-AAEUAGOBSA-N
MW324.31 g/mol
LogP2.36
Rot. Bonds5

About 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95297576) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95297576
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESO=C(CCn1ccnn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-10(12)11-9-13(11)20-14(23)5-7-22-8-6-19-21-22/h1-4,6,8,11,13H,5,7,9H2,(H,20,23)/t11-,13-/m0/s1
InChIKeyVRSJEASVHFIVFS-AAEUAGOBSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95297576) is 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is O=C(CCn1ccnn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is VRSJEASVHFIVFS-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-4-2-1-3-10(12)11-9-13(11)20-14(23)5-7-22-8-6-19-21-22/h1-4,6,8,11,13H,5,7,9H2,(H,20,23)/t11-,13-/m0/s1.
What are the key properties of 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 324.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95297576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).