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

C17H17FN6O — CID 154841705

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)C2)n[nH]1
InChIInChI=1S/C17H17FN6O/c1-10-19-16(23-20-10)11-6-7-24(9-11)17(25)15-8-14(21-22-15)12-4-2-3-5-13(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyLBUSOFOYURWBLM-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.27
Rot. Bonds3

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

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 154841705) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID154841705
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)C2)n[nH]1
InChIInChI=1S/C17H17FN6O/c1-10-19-16(23-20-10)11-6-7-24(9-11)17(25)15-8-14(21-22-15)12-4-2-3-5-13(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyLBUSOFOYURWBLM-UHFFFAOYSA-N
XLogP2.27
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
[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)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128721430
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
(3-hydroxy-4-methylphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128740804
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124974682
(6-fluoro-1H-benzimidazol-2-yl)-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99932216
(1S,5S)-6-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 164634076
[2-(dimethylamino)phenyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86284052
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70769158

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 154841705) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)C2)n[nH]1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LBUSOFOYURWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-10-19-16(23-20-10)11-6-7-24(9-11)17(25)15-8-14(21-22-15)12-4-2-3-5-13(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154841705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).