(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide

C17H20FN3O2 — CID 118560074

IUPAC(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C(C)C)c2C1
InChIInChI=1S/C17H20FN3O2/c1-10(2)21-15-8-17(16(22)20-23,7-12(15)9-19-21)13-5-4-6-14(18)11(13)3/h4-6,9-10,23H,7-8H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyQSLYMDVSJKBLNQ-KRWDZBQOSA-N
MW317.36 g/mol
LogP2.45
Rot. Bonds3

About (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (PubChem CID 118560074) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
PubChem CID118560074
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C(C)C)c2C1
InChIInChI=1S/C17H20FN3O2/c1-10(2)21-15-8-17(16(22)20-23,7-12(15)9-19-21)13-5-4-6-14(18)11(13)3/h4-6,9-10,23H,7-8H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyQSLYMDVSJKBLNQ-KRWDZBQOSA-N
XLogP2.45
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 ≤ 52.45
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 (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (CID 118560074) is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)Cc2cnn(C(C)C)c2C1.
What is the InChIKey of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is QSLYMDVSJKBLNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-10(2)21-15-8-17(16(22)20-23,7-12(15)9-19-21)13-5-4-6-14(18)11(13)3/h4-6,9-10,23H,7-8H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 118560074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).