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

C15H15F3N4O — CID 95297577

IUPAC3-(triazol-1-yl)-N-[(1S,2R)-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+/m1/s1
InChIKeyVRSJEASVHFIVFS-YPMHNXCESA-N
MW324.31 g/mol
LogP2.36
Rot. Bonds5

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

3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95297577) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95297577
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name3-(triazol-1-yl)-N-[(1S,2R)-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+/m1/s1
InChIKeyVRSJEASVHFIVFS-YPMHNXCESA-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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Related Compounds

3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297576
2-(triazol-1-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 75397270
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 97157859
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
CID 95273586
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
1,3,5-trimethyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281401
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281399
N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835261
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587

Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95297577) is 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 3-(triazol-1-yl)-N-[(1S,2R)-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,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is VRSJEASVHFIVFS-YPMHNXCESA-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+/m1/s1.
What are the key properties of 3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
3-(triazol-1-yl)-N-[(1S,2R)-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,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95297577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).