(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C14H15FN4O2 — CID 128721430

IUPAC(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccc(F)cc3O)C2)n[nH]1
InChIInChI=1S/C14H15FN4O2/c1-8-16-13(18-17-8)9-4-5-19(7-9)14(21)11-3-2-10(15)6-12(11)20/h2-3,6,9,20H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyXSXFLJDMUJHZEC-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.59
Rot. Bonds2

About (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 128721430) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID128721430
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccc(F)cc3O)C2)n[nH]1
InChIInChI=1S/C14H15FN4O2/c1-8-16-13(18-17-8)9-4-5-19(7-9)14(21)11-3-2-10(15)6-12(11)20/h2-3,6,9,20H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyXSXFLJDMUJHZEC-UHFFFAOYSA-N
XLogP1.59
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
(3-hydroxy-4-methylphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128740804
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
(6-fluoro-1H-benzimidazol-2-yl)-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99932216
[2-(dimethylamino)phenyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86284052
(2-chloro-4-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 53192419
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 118771981
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(3-chloro-4-pyridinyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118790896
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 128721430) is (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3ccc(F)cc3O)C2)n[nH]1.
What is the InChIKey of (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XSXFLJDMUJHZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-8-16-13(18-17-8)9-4-5-19(7-9)14(21)11-3-2-10(15)6-12(11)20/h2-3,6,9,20H,4-5,7H2,1H3,(H,16,17,18).
What are the key properties of (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
(4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 290.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128721430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).