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

C20H17ClFN3O2 — CID 118560026

IUPAC1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3ccccc3Cl)c2C1
InChIInChI=1S/C20H17ClFN3O2/c1-12-14(5-4-7-16(12)22)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-15(17)21/h2-8,11,27H,9-10H2,1H3,(H,24,26)
InChIKeyDZBUYIWNNVLXGN-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.52
Rot. Bonds3

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

1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (PubChem CID 118560026) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
PubChem CID118560026
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3ccccc3Cl)c2C1
InChIInChI=1S/C20H17ClFN3O2/c1-12-14(5-4-7-16(12)22)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-15(17)21/h2-8,11,27H,9-10H2,1H3,(H,24,26)
InChIKeyDZBUYIWNNVLXGN-UHFFFAOYSA-N
XLogP3.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.52
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

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
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
2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
CID 146220790
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 118569847
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 118870540
(1R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenylcyclopent-2-ene-1-carboxamide
CID 86302815
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide (CID 118560026) is 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2cnn(-c3ccccc3Cl)c2C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is DZBUYIWNNVLXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-14(5-4-7-16(12)22)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-15(17)21/h2-8,11,27H,9-10H2,1H3,(H,24,26).
What are the key properties of 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 118560026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).