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

C21H20FN3O2 — CID 118559976

IUPAC(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1ccc(-n2ncc3c2C[C@](C(=O)NO)(c2cccc(F)c2C)C3)cc1
InChIInChI=1S/C21H20FN3O2/c1-13-6-8-16(9-7-13)25-19-11-21(20(26)24-27,10-15(19)12-23-25)17-4-3-5-18(22)14(17)2/h3-9,12,27H,10-11H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLRFKWFKOFXFFHK-NRFANRHFSA-N
MW365.41 g/mol
LogP3.17
Rot. Bonds3

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

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (PubChem CID 118559976) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
PubChem CID118559976
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1ccc(-n2ncc3c2C[C@](C(=O)NO)(c2cccc(F)c2C)C3)cc1
InChIInChI=1S/C21H20FN3O2/c1-13-6-8-16(9-7-13)25-19-11-21(20(26)24-27,10-15(19)12-23-25)17-4-3-5-18(22)14(17)2/h3-9,12,27H,10-11H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLRFKWFKOFXFFHK-NRFANRHFSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.17
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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Related Compounds

5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559901
6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 118559857
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 144972833
2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
CID 146220783
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 118870540
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (CID 118559976) is (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is Cc1ccc(-n2ncc3c2C[C@](C(=O)NO)(c2cccc(F)c2C)C3)cc1.
What is the InChIKey of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is LRFKWFKOFXFFHK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-6-8-16(9-7-13)25-19-11-21(20(26)24-27,10-15(19)12-23-25)17-4-3-5-18(22)14(17)2/h3-9,12,27H,10-11H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.17, 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-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 118559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).