cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone

C17H19FN4O — CID 166323620

IUPACcyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(-n2cc(C3CCCN3C(=O)C3CC3)nn2)c1F
InChIInChI=1S/C17H19FN4O/c1-11-4-2-5-15(16(11)18)22-10-13(19-20-22)14-6-3-9-21(14)17(23)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3
InChIKeyAUAANKGOUAXNFX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.79
Rot. Bonds3

About cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone

cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 166323620) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone
PubChem CID166323620
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Namecyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(-n2cc(C3CCCN3C(=O)C3CC3)nn2)c1F
InChIInChI=1S/C17H19FN4O/c1-11-4-2-5-15(16(11)18)22-10-13(19-20-22)14-6-3-9-21(14)17(23)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3
InChIKeyAUAANKGOUAXNFX-UHFFFAOYSA-N
XLogP2.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone (CID 166323620) is cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone is Cc1cccc(-n2cc(C3CCCN3C(=O)C3CC3)nn2)c1F.
What is the InChIKey of cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is AUAANKGOUAXNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-4-2-5-15(16(11)18)22-10-13(19-20-22)14-6-3-9-21(14)17(23)12-7-8-12/h2,4-5,10,12,14H,3,6-9H2,1H3.
What are the key properties of cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone?
cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166323620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).