(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide

C17H18FN3O2 — CID 86303296

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccnn2C)CC1
InChIInChI=1S/C17H18FN3O2/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/h3-5,7,9-10,23H,6,8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyFCSQJTXZDUDBJM-KRWDZBQOSA-N
MW315.35 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide

(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 86303296) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID86303296
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccnn2C)CC1
InChIInChI=1S/C17H18FN3O2/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/h3-5,7,9-10,23H,6,8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyFCSQJTXZDUDBJM-KRWDZBQOSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.49
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 (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide (CID 86303296) is (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide is Cc1c(F)cccc1[C@@]1(C(=O)NO)C=C(c2ccnn2C)CC1.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FCSQJTXZDUDBJM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FN3O2/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/h3-5,7,9-10,23H,6,8H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide?
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 86303296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).