trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide

C17H20FN3O2 — CID 86274415

IUPACtrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccnn2C)C1
InChIInChI=1S/C17H20FN3O2/c1-11-13(4-3-5-14(11)18)17(16(22)20-23)8-6-12(10-17)15-7-9-19-21(15)2/h3-5,7,9,12,23H,6,8,10H2,1-2H3,(H,20,22)/t12-,17+/m1/s1
InChIKeyRERSZXIBQVTMBT-PXAZEXFGSA-N
MW317.36 g/mol
LogP2.58
Rot. Bonds3

About trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide

trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 86274415) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID86274415
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Nametrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccnn2C)C1
InChIInChI=1S/C17H20FN3O2/c1-11-13(4-3-5-14(11)18)17(16(22)20-23)8-6-12(10-17)15-7-9-19-21(15)2/h3-5,7,9,12,23H,6,8,10H2,1-2H3,(H,20,22)/t12-,17+/m1/s1
InChIKeyRERSZXIBQVTMBT-PXAZEXFGSA-N
XLogP2.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 86274415) is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccnn2C)C1.
What is the InChIKey of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is RERSZXIBQVTMBT-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-13(4-3-5-14(11)18)17(16(22)20-23)8-6-12(10-17)15-7-9-19-21(15)2/h3-5,7,9,12,23H,6,8,10H2,1-2H3,(H,20,22)/t12-,17+/m1/s1.
What are the key properties of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide?
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86274415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).