(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C19H16F3N5O2 — CID 91625407

IUPAC(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)13-6-8-23-17(10-13)29-15-7-9-26(12-15)18(28)16-11-24-27(25-16)14-4-2-1-3-5-14/h1-6,8,10-11,15H,7,9,12H2
InChIKeyTZHVIXFZIFBLHM-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.97
Rot. Bonds4

About (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 91625407) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID91625407
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)13-6-8-23-17(10-13)29-15-7-9-26(12-15)18(28)16-11-24-27(25-16)14-4-2-1-3-5-14/h1-6,8,10-11,15H,7,9,12H2
InChIKeyTZHVIXFZIFBLHM-UHFFFAOYSA-N
XLogP2.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 91625407) is (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is TZHVIXFZIFBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)13-6-8-23-17(10-13)29-15-7-9-26(12-15)18(28)16-11-24-27(25-16)14-4-2-1-3-5-14/h1-6,8,10-11,15H,7,9,12H2.
What are the key properties of (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
(2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 403.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91625407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).